N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide

C17H14ClNO3S3 — CID 7268580

IUPACN-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C17H14ClNO3S3/c18-12-5-7-13(8-6-12)25(21,22)16(14-3-1-9-23-14)11-19-17(20)15-4-2-10-24-15/h1-10,16H,11H2,(H,19,20)/t16-/m0/s1
InChIKeyZGUNFXRTHYVDAZ-INIZCTEOSA-N
MW411.96 g/mol
LogP4.41
Rot. Bonds6

About N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide

N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide (PubChem CID 7268580) has the molecular formula C17H14ClNO3S3 and a molecular weight of 411.96 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
PubChem CID7268580
Molecular FormulaC17H14ClNO3S3
Molecular Weight411.96 g/mol
Exact Mass410.98
IUPAC NameN-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C17H14ClNO3S3/c18-12-5-7-13(8-6-12)25(21,22)16(14-3-1-9-23-14)11-19-17(20)15-4-2-10-24-15/h1-10,16H,11H2,(H,19,20)/t16-/m0/s1
InChIKeyZGUNFXRTHYVDAZ-INIZCTEOSA-N
XLogP4.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]furan-2-carboxamide
CID 7268597
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide
CID 27546075
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide
CID 22581594
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 40774967
2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
CID 40774735
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide
CID 22584057
N-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9184130
N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(3-methylbutyl)oxamide
CID 27532307
4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 22584082
2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 27545836
[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium
CID 9079056
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-cyclohexyloxamide
CID 92693458

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide (CID 7268580) is N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide is O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide?
The InChIKey is ZGUNFXRTHYVDAZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H14ClNO3S3/c18-12-5-7-13(8-6-12)25(21,22)16(14-3-1-9-23-14)11-19-17(20)15-4-2-10-24-15/h1-10,16H,11H2,(H,19,20)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide?
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide has a molecular weight of 411.96 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 7268580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).