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

C17H14ClNO4S2 — CID 7268597

IUPACN-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]furan-2-carboxamide
SMILESO=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C17H14ClNO4S2/c18-12-5-7-13(8-6-12)25(21,22)16(15-4-2-10-24-15)11-19-17(20)14-3-1-9-23-14/h1-10,16H,11H2,(H,19,20)/t16-/m0/s1
InChIKeyLNGINIVINSGKDB-INIZCTEOSA-N
MW395.89 g/mol
LogP3.94
Rot. Bonds6

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

N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]furan-2-carboxamide (PubChem CID 7268597) has the molecular formula C17H14ClNO4S2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]furan-2-carboxamide
PubChem CID7268597
Molecular FormulaC17H14ClNO4S2
Molecular Weight395.89 g/mol
Exact Mass395.01
IUPAC NameN-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]furan-2-carboxamide
SMILESO=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C17H14ClNO4S2/c18-12-5-7-13(8-6-12)25(21,22)16(15-4-2-10-24-15)11-19-17(20)14-3-1-9-23-14/h1-10,16H,11H2,(H,19,20)/t16-/m0/s1
InChIKeyLNGINIVINSGKDB-INIZCTEOSA-N
XLogP3.94
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 7268580
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-[(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-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide
CID 22584057
4-chloro-N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 22584561
N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(3-methylbutyl)oxamide
CID 27532307
N'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide
CID 27564557
N-(furan-2-ylmethyl)-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 27506079
N-(furan-2-ylmethyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 27506074
4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 22584082

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]furan-2-carboxamide (CID 7268597) is N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]furan-2-carboxamide is O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]furan-2-carboxamide?
The InChIKey is LNGINIVINSGKDB-INIZCTEOSA-N. The full InChI is InChI=1S/C17H14ClNO4S2/c18-12-5-7-13(8-6-12)25(21,22)16(15-4-2-10-24-15)11-19-17(20)14-3-1-9-23-14/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]furan-2-carboxamide?
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]furan-2-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 3.94, 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]furan-2-carboxamide is sourced from PubChem (CID 7268597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).