N-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide

C19H17ClN2O4S3 — CID 23096482

IUPACN-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H17ClN2O4S3/c1-26-17-9-4-13(20)11-16(17)21-18(23)12-28-15-7-5-14(6-8-15)22-29(24,25)19-3-2-10-27-19/h2-11,22H,12H2,1H3,(H,21,23)
InChIKeyAJIIIRJLQXWBBV-UHFFFAOYSA-N
MW469.01 g/mol
LogP4.94
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide

N-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide (PubChem CID 23096482) has the molecular formula C19H17ClN2O4S3 and a molecular weight of 469.01 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
PubChem CID23096482
Molecular FormulaC19H17ClN2O4S3
Molecular Weight469.01 g/mol
Exact Mass468.00
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H17ClN2O4S3/c1-26-17-9-4-13(20)11-16(17)21-18(23)12-28-15-7-5-14(6-8-15)22-29(24,25)19-3-2-10-27-19/h2-11,22H,12H2,1H3,(H,21,23)
InChIKeyAJIIIRJLQXWBBV-UHFFFAOYSA-N
XLogP4.94
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.01
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 22779734
N-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 23095595
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 26552817
2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 846639
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37138088
N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 166191023
N-(2,5-dichlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 23098743
N-[4-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19630801
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 8800367
N-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 23096856
N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 1337784
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 23099783

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide (CID 23096482) is N-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide is COc1ccc(Cl)cc1NC(=O)CSc1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide?
The InChIKey is AJIIIRJLQXWBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S3/c1-26-17-9-4-13(20)11-16(17)21-18(23)12-28-15-7-5-14(6-8-15)22-29(24,25)19-3-2-10-27-19/h2-11,22H,12H2,1H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide?
N-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide has a molecular weight of 469.01 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide is sourced from PubChem (CID 23096482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).