2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide

C18H21N3O2S2 — CID 72939461

IUPAC2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide
SMILESCNC(=O)c1ccc(C2CCCN2C(=O)Nc2cccc(SC)c2)s1
InChIInChI=1S/C18H21N3O2S2/c1-19-17(22)16-9-8-15(25-16)14-7-4-10-21(14)18(23)20-12-5-3-6-13(11-12)24-2/h3,5-6,8-9,11,14H,4,7,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyMRXCPAMXMSYDRC-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.20
Rot. Bonds4

About 2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide

2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide (PubChem CID 72939461) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide
PubChem CID72939461
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC Name2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide
SMILESCNC(=O)c1ccc(C2CCCN2C(=O)Nc2cccc(SC)c2)s1
InChIInChI=1S/C18H21N3O2S2/c1-19-17(22)16-9-8-15(25-16)14-7-4-10-21(14)18(23)20-12-5-3-6-13(11-12)24-2/h3,5-6,8-9,11,14H,4,7,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyMRXCPAMXMSYDRC-UHFFFAOYSA-N
XLogP4.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)pyrrolidine-1-carboxamide
CID 97451689
N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
CID 22586897
2-(5-methylthiophen-2-yl)-N-phenylazepane-1-carboxamide
CID 22586847
2-[1-[(3-methylsulfanylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61181332
N-(3-methylsulfanylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60551840
(2R)-N-(3,4-dimethylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
CID 92503091
(2S)-N-(3-fluoro-4-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
CID 92503204
5-methyl-N-[1-[2-(3-methylsulfanylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 49448378
1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318366
(3R)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121226
(3S)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125642
N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 56907734

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide (CID 72939461) is 2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide is CNC(=O)c1ccc(C2CCCN2C(=O)Nc2cccc(SC)c2)s1.
What is the InChIKey of 2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is MRXCPAMXMSYDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-19-17(22)16-9-8-15(25-16)14-7-4-10-21(14)18(23)20-12-5-3-6-13(11-12)24-2/h3,5-6,8-9,11,14H,4,7,10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide?
2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 72939461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).