(2R)-N-(3-carbamoylthiophen-2-yl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide

C16H16ClN3O4S2 — CID 2649721

IUPAC(2R)-N-(3-carbamoylthiophen-2-yl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O4S2/c17-10-3-5-11(6-4-10)26(23,24)20-8-1-2-13(20)15(22)19-16-12(14(18)21)7-9-25-16/h3-7,9,13H,1-2,8H2,(H2,18,21)(H,19,22)/t13-/m1/s1
InChIKeyKLRQSQGOLSKWLZ-CYBMUJFWSA-N
MW413.91 g/mol
LogP2.29
Rot. Bonds5

About (2R)-N-(3-carbamoylthiophen-2-yl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide

(2R)-N-(3-carbamoylthiophen-2-yl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 2649721) has the molecular formula C16H16ClN3O4S2 and a molecular weight of 413.91 g/mol. Its IUPAC name is (2R)-N-(3-carbamoylthiophen-2-yl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-carbamoylthiophen-2-yl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID2649721
Molecular FormulaC16H16ClN3O4S2
Molecular Weight413.91 g/mol
Exact Mass413.03
IUPAC Name(2R)-N-(3-carbamoylthiophen-2-yl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O4S2/c17-10-3-5-11(6-4-10)26(23,24)20-8-1-2-13(20)15(22)19-16-12(14(18)21)7-9-25-16/h3-7,9,13H,1-2,8H2,(H2,18,21)(H,19,22)/t13-/m1/s1
InChIKeyKLRQSQGOLSKWLZ-CYBMUJFWSA-N
XLogP2.29
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-3-carboxamide
CID 7164097
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 43011395
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 4034649
(2S)-1-(4-chlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 1468453
(2R)-N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 8795140
(2S)-N-(1-adamantyl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 7405439
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 8779936
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 8795044
1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 16925163
(2R)-N-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865501
(2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide
CID 92887706
(2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2095948

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-carbamoylthiophen-2-yl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(3-carbamoylthiophen-2-yl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 2649721) is (2R)-N-(3-carbamoylthiophen-2-yl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-carbamoylthiophen-2-yl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3-carbamoylthiophen-2-yl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide is NC(=O)c1ccsc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-(3-carbamoylthiophen-2-yl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is KLRQSQGOLSKWLZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16ClN3O4S2/c17-10-3-5-11(6-4-10)26(23,24)20-8-1-2-13(20)15(22)19-16-12(14(18)21)7-9-25-16/h3-7,9,13H,1-2,8H2,(H2,18,21)(H,19,22)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-carbamoylthiophen-2-yl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
(2R)-N-(3-carbamoylthiophen-2-yl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 413.91 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-carbamoylthiophen-2-yl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2649721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).