N-(2-tert-butylsulfanylethyl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide

C20H25ClN2O3S2 — CID 30398696

IUPACN-(2-tert-butylsulfanylethyl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSC(C)(C)C)c(Cl)c2)cc1
InChIInChI=1S/C20H25ClN2O3S2/c1-14-5-8-16(9-6-14)28(25,26)23-15-7-10-17(18(21)13-15)19(24)22-11-12-27-20(2,3)4/h5-10,13,23H,11-12H2,1-4H3,(H,22,24)
InChIKeyBCLDKUIWOSPIDN-UHFFFAOYSA-N
MW441.02 g/mol
LogP4.71
Rot. Bonds7

About N-(2-tert-butylsulfanylethyl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide

N-(2-tert-butylsulfanylethyl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 30398696) has the molecular formula C20H25ClN2O3S2 and a molecular weight of 441.02 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID30398696
Molecular FormulaC20H25ClN2O3S2
Molecular Weight441.02 g/mol
Exact Mass440.10
IUPAC NameN-(2-tert-butylsulfanylethyl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSC(C)(C)C)c(Cl)c2)cc1
InChIInChI=1S/C20H25ClN2O3S2/c1-14-5-8-16(9-6-14)28(25,26)23-15-7-10-17(18(21)13-15)19(24)22-11-12-27-20(2,3)4/h5-10,13,23H,11-12H2,1-4H3,(H,22,24)
InChIKeyBCLDKUIWOSPIDN-UHFFFAOYSA-N
XLogP4.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.02
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-tert-butylsulfanylethyl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-N-[2-(4-methylphenyl)sulfanylethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28631759
4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 92679565
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99972490
2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778171
2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772054
2-chloro-N-(3-methylbutan-2-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 133250022
2-chloro-4-(methanesulfonamido)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92684011
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
2-chloro-N-(2-fluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43910411
4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide
CID 46762901
2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 94018888
N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778797

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 30398696) is N-(2-tert-butylsulfanylethyl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSC(C)(C)C)c(Cl)c2)cc1.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is BCLDKUIWOSPIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S2/c1-14-5-8-16(9-6-14)28(25,26)23-15-7-10-17(18(21)13-15)19(24)22-11-12-27-20(2,3)4/h5-10,13,23H,11-12H2,1-4H3,(H,22,24).
What are the key properties of N-(2-tert-butylsulfanylethyl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide?
N-(2-tert-butylsulfanylethyl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 441.02 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 30398696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).