N-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide

C17H14ClNO3S3 — CID 9184130

IUPACN-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H](c1ccc(Cl)cc1)S(=O)(=O)c1cccs1)c1cccs1
InChIInChI=1S/C17H14ClNO3S3/c18-13-7-5-12(6-8-13)15(25(21,22)16-4-2-10-24-16)11-19-17(20)14-3-1-9-23-14/h1-10,15H,11H2,(H,19,20)/t15-/m0/s1
InChIKeyFFSMXCRLDRBJAR-HNNXBMFYSA-N
MW411.96 g/mol
LogP4.41
Rot. Bonds6

About N-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide

N-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide (PubChem CID 9184130) has the molecular formula C17H14ClNO3S3 and a molecular weight of 411.96 g/mol. Its IUPAC name is N-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
PubChem CID9184130
Molecular FormulaC17H14ClNO3S3
Molecular Weight411.96 g/mol
Exact Mass410.98
IUPAC NameN-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H](c1ccc(Cl)cc1)S(=O)(=O)c1cccs1)c1cccs1
InChIInChI=1S/C17H14ClNO3S3/c18-13-7-5-12(6-8-13)15(25(21,22)16-4-2-10-24-16)11-19-17(20)14-3-1-9-23-14/h1-10,15H,11H2,(H,19,20)/t15-/m0/s1
InChIKeyFFSMXCRLDRBJAR-HNNXBMFYSA-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)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide
CID 9184177
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9151991
N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9151978
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 7268580
N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649043
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 94290696
4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9152261
3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9169004
4-chloro-N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 7268351
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 44649417
N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9181107
4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649058

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide (CID 9184130) is N-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide is O=C(NC[C@@H](c1ccc(Cl)cc1)S(=O)(=O)c1cccs1)c1cccs1.
What is the InChIKey of N-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide?
The InChIKey is FFSMXCRLDRBJAR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H14ClNO3S3/c18-13-7-5-12(6-8-13)15(25(21,22)16-4-2-10-24-16)11-19-17(20)14-3-1-9-23-14/h1-10,15H,11H2,(H,19,20)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide?
N-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]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-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9184130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).