2-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide;4-tert-butyl-1,3-dimethylindazole;3-tert-butyl-N,N-dimethyl-2-methylsulfonylaniline;2-tert-butyl-1H-indole;2-tert-butyl-N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;4-(2-tert-butylphenyl)-1-methylimidazole;8-tert-butylquinazolin-4-amine;8-tert-butylquinazoline

C104H148N14O5S3 — CID 158628800

IUPAC2-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide;4-tert-butyl-1,3-dimethylindazole;3-tert-butyl-N,N-dimethyl-2-methylsulfonylaniline;2-tert-butyl-1H-indole;2-tert-butyl-N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;4-(2-tert-butylphenyl)-1-methylimidazole;8-tert-butylquinazolin-4-amine;8-tert-butylquinazoline
SMILESC=S(C)(=O)N(C)c1ccccc1C(C)(C)C.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cccc2c(N)ncnc12.CC(C)(C)c1cccc2cncnc12.CN(C)CCN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CN(C)c1cccc(C(C)(C)C)c1S(C)(=O)=O.Cc1nn(C)c2cccc(C(C)(C)C)c12.Cn1cnc(-c2ccccc2C(C)(C)C)c1
InChIInChI=1S/C15H26N2O2S.C14H18N2.C13H18N2.C13H21NO2S.C13H21NOS.C12H15N3.C12H14N2.C12H15N/c1-15(2,3)13-9-7-8-10-14(13)20(18,19)17(6)12-11-16(4)5;1-14(2,3)12-8-6-5-7-11(12)13-9-16(4)10-15-13;1-9-12-10(13(2,3)4)7-6-8-11(12)15(5)14-9;1-13(2,3)10-8-7-9-11(14(4)5)12(10)17(6,15)16;1-13(2,3)11-9-7-8-10-12(11)14(4)16(5,6)15;1-12(2,3)9-6-4-5-8-10(9)14-7-15-11(8)13;1-12(2,3)10-6-4-5-9-7-13-8-14-11(9)10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11/h7-10H,11-12H2,1-6H3;5-10H,1-4H3;6-8H,1-5H3;7-9H,1-6H3;7-10H,5H2,1-4,6H3;4-7H,1-3H3,(H2,13,14,15);4-8H,1-3H3;4-8,13H,1-3H3
InChIKeyHYXVYNAWVZRBIP-UHFFFAOYSA-N
MW1770.62 g/mol
LogP22.77
Rot. Bonds10

About 2-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide;4-tert-butyl-1,3-dimethylindazole;3-tert-butyl-N,N-dimethyl-2-methylsulfonylaniline;2-tert-butyl-1H-indole;2-tert-butyl-N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;4-(2-tert-butylphenyl)-1-methylimidazole;8-tert-butylquinazolin-4-amine;8-tert-butylquinazoline

2-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide;4-tert-butyl-1,3-dimethylindazole;3-tert-butyl-N,N-dimethyl-2-methylsulfonylaniline;2-tert-butyl-1H-indole;2-tert-butyl-N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;4-(2-tert-butylphenyl)-1-methylimidazole;8-tert-butylquinazolin-4-amine;8-tert-butylquinazoline (PubChem CID 158628800) has the molecular formula C104H148N14O5S3 and a molecular weight of 1770.62 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide;4-tert-butyl-1,3-dimethylindazole;3-tert-butyl-N,N-dimethyl-2-methylsulfonylaniline;2-tert-butyl-1H-indole;2-tert-butyl-N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;4-(2-tert-butylphenyl)-1-methylimidazole;8-tert-butylquinazolin-4-amine;8-tert-butylquinazoline.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide;4-tert-butyl-1,3-dimethylindazole;3-tert-butyl-N,N-dimethyl-2-methylsulfonylaniline;2-tert-butyl-1H-indole;2-tert-butyl-N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;4-(2-tert-butylphenyl)-1-methylimidazole;8-tert-butylquinazolin-4-amine;8-tert-butylquinazoline
PubChem CID158628800
Molecular FormulaC104H148N14O5S3
Molecular Weight1770.62 g/mol
Exact Mass1769.09
IUPAC Name2-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide;4-tert-butyl-1,3-dimethylindazole;3-tert-butyl-N,N-dimethyl-2-methylsulfonylaniline;2-tert-butyl-1H-indole;2-tert-butyl-N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;4-(2-tert-butylphenyl)-1-methylimidazole;8-tert-butylquinazolin-4-amine;8-tert-butylquinazoline
SMILESC=S(C)(=O)N(C)c1ccccc1C(C)(C)C.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cccc2c(N)ncnc12.CC(C)(C)c1cccc2cncnc12.CN(C)CCN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CN(C)c1cccc(C(C)(C)C)c1S(C)(=O)=O.Cc1nn(C)c2cccc(C(C)(C)C)c12.Cn1cnc(-c2ccccc2C(C)(C)C)c1
InChIInChI=1S/C15H26N2O2S.C14H18N2.C13H18N2.C13H21NO2S.C13H21NOS.C12H15N3.C12H14N2.C12H15N/c1-15(2,3)13-9-7-8-10-14(13)20(18,19)17(6)12-11-16(4)5;1-14(2,3)12-8-6-5-7-11(12)13-9-16(4)10-15-13;1-9-12-10(13(2,3)4)7-6-8-11(12)15(5)14-9;1-13(2,3)10-8-7-9-11(14(4)5)12(10)17(6,15)16;1-13(2,3)11-9-7-8-10-12(11)14(4)16(5,6)15;1-12(2,3)9-6-4-5-8-10(9)14-7-15-11(8)13;1-12(2,3)10-6-4-5-9-7-13-8-14-11(9)10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11/h7-10H,11-12H2,1-6H3;5-10H,1-4H3;6-8H,1-5H3;7-9H,1-6H3;7-10H,5H2,1-4,6H3;4-7H,1-3H3,(H2,13,14,15);4-8H,1-3H3;4-8,13H,1-3H3
InChIKeyHYXVYNAWVZRBIP-UHFFFAOYSA-N
XLogP22.77
TPSA227.32 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001770.62
LogP ≤ 522.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide;4-tert-butyl-1,3-dimethylindazole;3-tert-butyl-N,N-dimethyl-2-methylsulfonylaniline;2-tert-butyl-1H-indole;2-tert-butyl-N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;4-(2-tert-butylphenyl)-1-methylimidazole;8-tert-butylquinazolin-4-amine;8-tert-butylquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide;4-tert-butyl-1,3-dimethylindazole;3-tert-butyl-N,N-dimethyl-2-methylsulfonylaniline;2-tert-butyl-1H-indole;2-tert-butyl-N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;4-(2-tert-butylphenyl)-1-methylimidazole;8-tert-butylquinazolin-4-amine;8-tert-butylquinazoline?
The IUPAC name of 2-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide;4-tert-butyl-1,3-dimethylindazole;3-tert-butyl-N,N-dimethyl-2-methylsulfonylaniline;2-tert-butyl-1H-indole;2-tert-butyl-N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;4-(2-tert-butylphenyl)-1-methylimidazole;8-tert-butylquinazolin-4-amine;8-tert-butylquinazoline (CID 158628800) is 2-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide;4-tert-butyl-1,3-dimethylindazole;3-tert-butyl-N,N-dimethyl-2-methylsulfonylaniline;2-tert-butyl-1H-indole;2-tert-butyl-N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;4-(2-tert-butylphenyl)-1-methylimidazole;8-tert-butylquinazolin-4-amine;8-tert-butylquinazoline.
What is the SMILES notation for 2-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide;4-tert-butyl-1,3-dimethylindazole;3-tert-butyl-N,N-dimethyl-2-methylsulfonylaniline;2-tert-butyl-1H-indole;2-tert-butyl-N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;4-(2-tert-butylphenyl)-1-methylimidazole;8-tert-butylquinazolin-4-amine;8-tert-butylquinazoline?
The canonical SMILES for 2-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide;4-tert-butyl-1,3-dimethylindazole;3-tert-butyl-N,N-dimethyl-2-methylsulfonylaniline;2-tert-butyl-1H-indole;2-tert-butyl-N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;4-(2-tert-butylphenyl)-1-methylimidazole;8-tert-butylquinazolin-4-amine;8-tert-butylquinazoline is C=S(C)(=O)N(C)c1ccccc1C(C)(C)C.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cccc2c(N)ncnc12.CC(C)(C)c1cccc2cncnc12.CN(C)CCN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CN(C)c1cccc(C(C)(C)C)c1S(C)(=O)=O.Cc1nn(C)c2cccc(C(C)(C)C)c12.Cn1cnc(-c2ccccc2C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide;4-tert-butyl-1,3-dimethylindazole;3-tert-butyl-N,N-dimethyl-2-methylsulfonylaniline;2-tert-butyl-1H-indole;2-tert-butyl-N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;4-(2-tert-butylphenyl)-1-methylimidazole;8-tert-butylquinazolin-4-amine;8-tert-butylquinazoline?
The InChIKey is HYXVYNAWVZRBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S.C14H18N2.C13H18N2.C13H21NO2S.C13H21NOS.C12H15N3.C12H14N2.C12H15N/c1-15(2,3)13-9-7-8-10-14(13)20(18,19)17(6)12-11-16(4)5;1-14(2,3)12-8-6-5-7-11(12)13-9-16(4)10-15-13;1-9-12-10(13(2,3)4)7-6-8-11(12)15(5)14-9;1-13(2,3)10-8-7-9-11(14(4)5)12(10)17(6,15)16;1-13(2,3)11-9-7-8-10-12(11)14(4)16(5,6)15;1-12(2,3)9-6-4-5-8-10(9)14-7-15-11(8)13;1-12(2,3)10-6-4-5-9-7-13-8-14-11(9)10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11/h7-10H,11-12H2,1-6H3;5-10H,1-4H3;6-8H,1-5H3;7-9H,1-6H3;7-10H,5H2,1-4,6H3;4-7H,1-3H3,(H2,13,14,15);4-8H,1-3H3;4-8,13H,1-3H3.
What are the key properties of 2-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide;4-tert-butyl-1,3-dimethylindazole;3-tert-butyl-N,N-dimethyl-2-methylsulfonylaniline;2-tert-butyl-1H-indole;2-tert-butyl-N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;4-(2-tert-butylphenyl)-1-methylimidazole;8-tert-butylquinazolin-4-amine;8-tert-butylquinazoline?
2-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide;4-tert-butyl-1,3-dimethylindazole;3-tert-butyl-N,N-dimethyl-2-methylsulfonylaniline;2-tert-butyl-1H-indole;2-tert-butyl-N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;4-(2-tert-butylphenyl)-1-methylimidazole;8-tert-butylquinazolin-4-amine;8-tert-butylquinazoline has a molecular weight of 1770.62 g/mol, XLogP of 22.77, 10 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide;4-tert-butyl-1,3-dimethylindazole;3-tert-butyl-N,N-dimethyl-2-methylsulfonylaniline;2-tert-butyl-1H-indole;2-tert-butyl-N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;4-(2-tert-butylphenyl)-1-methylimidazole;8-tert-butylquinazolin-4-amine;8-tert-butylquinazoline is sourced from PubChem (CID 158628800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).