(2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

C15H17N3O4S3 — CID 7614856

IUPAC(2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C15H17N3O4S3/c1-16-13(19)10-6-9-24-15(10)17-14(20)11-4-2-7-18(11)25(21,22)12-5-3-8-23-12/h3,5-6,8-9,11H,2,4,7H2,1H3,(H,16,19)(H,17,20)/t11-/m1/s1
InChIKeyIANCUBMOTJZWES-LLVKDONJSA-N
MW399.52 g/mol
LogP1.96
Rot. Bonds5

About (2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

(2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 7614856) has the molecular formula C15H17N3O4S3 and a molecular weight of 399.52 g/mol. Its IUPAC name is (2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID7614856
Molecular FormulaC15H17N3O4S3
Molecular Weight399.52 g/mol
Exact Mass399.04
IUPAC Name(2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C15H17N3O4S3/c1-16-13(19)10-6-9-24-15(10)17-14(20)11-4-2-7-18(11)25(21,22)12-5-3-8-23-12/h3,5-6,8-9,11H,2,4,7H2,1H3,(H,16,19)(H,17,20)/t11-/m1/s1
InChIKeyIANCUBMOTJZWES-LLVKDONJSA-N
XLogP1.96
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate
CID 7614852
(2S)-N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614841
(2R)-N-(4-chlorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614814
N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341686
N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341707
N-(2-methyl-6-propan-2-ylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341696
(2R)-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799494
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845
(2R)-N-(1-benzothiophen-5-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614806
(2S)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799718
(2R)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799719
(2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 27452267

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 7614856) is (2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is CNC(=O)c1ccsc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of (2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is IANCUBMOTJZWES-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3O4S3/c1-16-13(19)10-6-9-24-15(10)17-14(20)11-4-2-7-18(11)25(21,22)12-5-3-8-23-12/h3,5-6,8-9,11H,2,4,7H2,1H3,(H,16,19)(H,17,20)/t11-/m1/s1.
What are the key properties of (2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
(2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 7614856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).