4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(thiophen-2-ylmethyl)benzamide

C26H23ClN2O3S2 — CID 46891078

IUPAC4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H23ClN2O3S2/c27-23-12-14-25(15-13-23)34(31,32)29(18-20-5-2-1-3-6-20)19-21-8-10-22(11-9-21)26(30)28-17-24-7-4-16-33-24/h1-16H,17-19H2,(H,28,30)
InChIKeyAXOKQRAETZYQKZ-UHFFFAOYSA-N
MW511.07 g/mol
LogP5.72
Rot. Bonds9

About 4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(thiophen-2-ylmethyl)benzamide

4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 46891078) has the molecular formula C26H23ClN2O3S2 and a molecular weight of 511.07 g/mol. Its IUPAC name is 4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID46891078
Molecular FormulaC26H23ClN2O3S2
Molecular Weight511.07 g/mol
Exact Mass510.08
IUPAC Name4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H23ClN2O3S2/c27-23-12-14-25(15-13-23)34(31,32)29(18-20-5-2-1-3-6-20)19-21-8-10-22(11-9-21)26(30)28-17-24-7-4-16-33-24/h1-16H,17-19H2,(H,28,30)
InChIKeyAXOKQRAETZYQKZ-UHFFFAOYSA-N
XLogP5.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.07
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide
CID 155522855
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-chloro-benzamide
CID 130431446
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chloro-benzamide
CID 130431453
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-chloro-benzamide
CID 130431470
3-chloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 1080680
4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 2675193
4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 2675231
Mth antagonist 65-A11
CID 2811064
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
5-chloro-N-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 44392904
4-[4-[(Benzylamino)methyl]benzoyl]thiophene-2-sulfonamide;hydrochloride
CID 45265147
N-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide
CID 155522485

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(thiophen-2-ylmethyl)benzamide (CID 46891078) is 4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is AXOKQRAETZYQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O3S2/c27-23-12-14-25(15-13-23)34(31,32)29(18-20-5-2-1-3-6-20)19-21-8-10-22(11-9-21)26(30)28-17-24-7-4-16-33-24/h1-16H,17-19H2,(H,28,30).
What are the key properties of 4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(thiophen-2-ylmethyl)benzamide?
4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 511.07 g/mol, XLogP of 5.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 46891078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).