N-(3-chloro-4-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide

C20H19ClN2O4S3 — CID 23098244

IUPACN-(3-chloro-4-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1Cl
InChIInChI=1S/C20H19ClN2O4S3/c1-13(20(24)22-15-7-10-18(27-2)17(21)12-15)29-16-8-5-14(6-9-16)23-30(25,26)19-4-3-11-28-19/h3-13,23H,1-2H3,(H,22,24)
InChIKeyHCVPOJOIZSOSEY-UHFFFAOYSA-N
MW483.04 g/mol
LogP5.33
Rot. Bonds8

About N-(3-chloro-4-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide

N-(3-chloro-4-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide (PubChem CID 23098244) has the molecular formula C20H19ClN2O4S3 and a molecular weight of 483.04 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
PubChem CID23098244
Molecular FormulaC20H19ClN2O4S3
Molecular Weight483.04 g/mol
Exact Mass482.02
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1Cl
InChIInChI=1S/C20H19ClN2O4S3/c1-13(20(24)22-15-7-10-18(27-2)17(21)12-15)29-16-8-5-14(6-9-16)23-30(25,26)19-4-3-11-28-19/h3-13,23H,1-2H3,(H,22,24)
InChIKeyHCVPOJOIZSOSEY-UHFFFAOYSA-N
XLogP5.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.04
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 23099783
N-(3-methylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 22779737
N-(2-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 22782899
N-(2,5-dichlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 23098743
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9310323
N-[4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-methylbenzamide
CID 22783140
N-[4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide
CID 23095269
N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
CID 25405255
N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 23100908
N-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 23096482
N-[4-[1-(3,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 23100585
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 21169675

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide (CID 23098244) is N-(3-chloro-4-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide is COc1ccc(NC(=O)C(C)Sc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide?
The InChIKey is HCVPOJOIZSOSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4S3/c1-13(20(24)22-15-7-10-18(27-2)17(21)12-15)29-16-8-5-14(6-9-16)23-30(25,26)19-4-3-11-28-19/h3-13,23H,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide?
N-(3-chloro-4-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide has a molecular weight of 483.04 g/mol, XLogP of 5.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide is sourced from PubChem (CID 23098244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).