N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]formamide;ethane;methylcyclopentane;2-methyl-N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide

C40H58N6O6S4 — CID 144915959

IUPACN-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]formamide;ethane;methylcyclopentane;2-methyl-N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide
SMILESCC.CC1CCCC1.CCC(C)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCCC3C)cc2)cs1.CN(C)S(=O)(=O)c1ccc(-c2csc(NC=O)n2)cc1
InChIInChI=1S/C20H27N3O3S2.C12H13N3O3S2.C6H12.C2H6/c1-4-14(2)19(24)22-20-21-18(13-27-20)16-8-10-17(11-9-16)28(25,26)23-12-6-5-7-15(23)3;1-15(2)20(17,18)10-5-3-9(4-6-10)11-7-19-12(14-11)13-8-16;1-6-4-2-3-5-6;1-2/h8-11,13-15H,4-7,12H2,1-3H3,(H,21,22,24);3-8H,1-2H3,(H,13,14,16);6H,2-5H2,1H3;1-2H3
InChIKeyUIIUUZMWDLLMBL-UHFFFAOYSA-N
MW847.21 g/mol
LogP9.21
Rot. Bonds11

About N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]formamide;ethane;methylcyclopentane;2-methyl-N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide

N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]formamide;ethane;methylcyclopentane;2-methyl-N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide (PubChem CID 144915959) has the molecular formula C40H58N6O6S4 and a molecular weight of 847.21 g/mol. Its IUPAC name is N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]formamide;ethane;methylcyclopentane;2-methyl-N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]formamide;ethane;methylcyclopentane;2-methyl-N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide
PubChem CID144915959
Molecular FormulaC40H58N6O6S4
Molecular Weight847.21 g/mol
Exact Mass846.33
IUPAC NameN-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]formamide;ethane;methylcyclopentane;2-methyl-N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide
SMILESCC.CC1CCCC1.CCC(C)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCCC3C)cc2)cs1.CN(C)S(=O)(=O)c1ccc(-c2csc(NC=O)n2)cc1
InChIInChI=1S/C20H27N3O3S2.C12H13N3O3S2.C6H12.C2H6/c1-4-14(2)19(24)22-20-21-18(13-27-20)16-8-10-17(11-9-16)28(25,26)23-12-6-5-7-15(23)3;1-15(2)20(17,18)10-5-3-9(4-6-10)11-7-19-12(14-11)13-8-16;1-6-4-2-3-5-6;1-2/h8-11,13-15H,4-7,12H2,1-3H3,(H,21,22,24);3-8H,1-2H3,(H,13,14,16);6H,2-5H2,1H3;1-2H3
InChIKeyUIIUUZMWDLLMBL-UHFFFAOYSA-N
XLogP9.21
TPSA158.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.21
LogP ≤ 59.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]formamide;ethane;methylcyclopentane;2-methyl-N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide with MolForge

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Related Compounds

N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide
CID 118362933
4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 41073040
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 70680665
4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 41073077
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4080052
N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 70680664
N,N-diethyl-4-[2-(3-ethyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(3-methyl-2-oxopentyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxoheptyl)-1,3-thiazol-4-yl]benzenesulfonamide;N,N-diethyl-4-[2-(2-oxooctyl)-1,3-thiazol-4-yl]benzenesulfonamide;3-methyl-1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]heptan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hexan-2-one;1-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one;1-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]octan-2-one
CID 161023021
(2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 2318282
4-(2-methylpiperidin-1-yl)sulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4198033
(2R)-1-(4-cyanophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 53488280
ethane;molecular hydrogen;N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 144915932
4-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 92693382

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]formamide;ethane;methylcyclopentane;2-methyl-N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]formamide;ethane;methylcyclopentane;2-methyl-N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide (CID 144915959) is N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]formamide;ethane;methylcyclopentane;2-methyl-N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]formamide;ethane;methylcyclopentane;2-methyl-N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]formamide;ethane;methylcyclopentane;2-methyl-N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide is CC.CC1CCCC1.CCC(C)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCCC3C)cc2)cs1.CN(C)S(=O)(=O)c1ccc(-c2csc(NC=O)n2)cc1.
What is the InChIKey of N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]formamide;ethane;methylcyclopentane;2-methyl-N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is UIIUUZMWDLLMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S2.C12H13N3O3S2.C6H12.C2H6/c1-4-14(2)19(24)22-20-21-18(13-27-20)16-8-10-17(11-9-16)28(25,26)23-12-6-5-7-15(23)3;1-15(2)20(17,18)10-5-3-9(4-6-10)11-7-19-12(14-11)13-8-16;1-6-4-2-3-5-6;1-2/h8-11,13-15H,4-7,12H2,1-3H3,(H,21,22,24);3-8H,1-2H3,(H,13,14,16);6H,2-5H2,1H3;1-2H3.
What are the key properties of N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]formamide;ethane;methylcyclopentane;2-methyl-N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide?
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]formamide;ethane;methylcyclopentane;2-methyl-N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 847.21 g/mol, XLogP of 9.21, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]formamide;ethane;methylcyclopentane;2-methyl-N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 144915959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).