2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide

C15H16ClNO4S2 — CID 9183001

IUPAC2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
SMILESCOc1ccc([C@H](CNC(=O)CCl)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C15H16ClNO4S2/c1-21-12-6-4-11(5-7-12)13(10-17-14(18)9-16)23(19,20)15-3-2-8-22-15/h2-8,13H,9-10H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyHAVLHEBDZOMWDU-ZDUSSCGKSA-N
MW373.88 g/mol
LogP2.63
Rot. Bonds7

About 2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide

2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide (PubChem CID 9183001) has the molecular formula C15H16ClNO4S2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
PubChem CID9183001
Molecular FormulaC15H16ClNO4S2
Molecular Weight373.88 g/mol
Exact Mass373.02
IUPAC Name2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
SMILESCOc1ccc([C@H](CNC(=O)CCl)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C15H16ClNO4S2/c1-21-12-6-4-11(5-7-12)13(10-17-14(18)9-16)23(19,20)15-3-2-8-22-15/h2-8,13H,9-10H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyHAVLHEBDZOMWDU-ZDUSSCGKSA-N
XLogP2.63
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]butanamide
CID 9182900
1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea
CID 9183165
N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
CID 9182921
2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide
CID 22584107
N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-methylbenzamide
CID 9183081
2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9151928
2-phenoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9180474
N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9181107
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9181381
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-thiophen-2-ylsulfonylethyl]-3-methylbutanamide
CID 9158948
N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide
CID 9181718
N-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9184130

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide?
The IUPAC name of 2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide (CID 9183001) is 2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide is COc1ccc([C@H](CNC(=O)CCl)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide?
The InChIKey is HAVLHEBDZOMWDU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16ClNO4S2/c1-21-12-6-4-11(5-7-12)13(10-17-14(18)9-16)23(19,20)15-3-2-8-22-15/h2-8,13H,9-10H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of 2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide?
2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide has a molecular weight of 373.88 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide is sourced from PubChem (CID 9183001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).