N-[4-chloro-3-(thiophen-2-ylmethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

C17H18ClN3O2S — CID 119342337

IUPACN-[4-chloro-3-(thiophen-2-ylmethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccs1)c1cc(NC(=O)C2CCCN2)ccc1Cl
InChIInChI=1S/C17H18ClN3O2S/c18-14-6-5-11(21-17(23)15-4-1-7-19-15)9-13(14)16(22)20-10-12-3-2-8-24-12/h2-3,5-6,8-9,15,19H,1,4,7,10H2,(H,20,22)(H,21,23)
InChIKeyKIUGDSFYTWKGFR-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.02
Rot. Bonds5

About N-[4-chloro-3-(thiophen-2-ylmethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

N-[4-chloro-3-(thiophen-2-ylmethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 119342337) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is N-[4-chloro-3-(thiophen-2-ylmethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(thiophen-2-ylmethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID119342337
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC NameN-[4-chloro-3-(thiophen-2-ylmethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccs1)c1cc(NC(=O)C2CCCN2)ccc1Cl
InChIInChI=1S/C17H18ClN3O2S/c18-14-6-5-11(21-17(23)15-4-1-7-19-15)9-13(14)16(22)20-10-12-3-2-8-24-12/h2-3,5-6,8-9,15,19H,1,4,7,10H2,(H,20,22)(H,21,23)
InChIKeyKIUGDSFYTWKGFR-UHFFFAOYSA-N
XLogP3.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 93263831
N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119286589
5-[(2-amino-2-methylpropanoyl)amino]-2-chloro-N-(thiophen-2-ylmethyl)benzamide
CID 119342331
2-chloro-5-[(2-methoxyacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
CID 71859307
(2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119718954
N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281092
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-(thiophen-2-ylmethyl)benzamide
CID 119816424
N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119324788
N-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide
CID 119309311
N-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide
CID 43233967
N-thiophen-2-ylpyrrolidine-2-carboxamide
CID 115159164

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(thiophen-2-ylmethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-chloro-3-(thiophen-2-ylmethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (CID 119342337) is N-[4-chloro-3-(thiophen-2-ylmethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(thiophen-2-ylmethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-(thiophen-2-ylmethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is O=C(NCc1cccs1)c1cc(NC(=O)C2CCCN2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(thiophen-2-ylmethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is KIUGDSFYTWKGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c18-14-6-5-11(21-17(23)15-4-1-7-19-15)9-13(14)16(22)20-10-12-3-2-8-24-12/h2-3,5-6,8-9,15,19H,1,4,7,10H2,(H,20,22)(H,21,23).
What are the key properties of N-[4-chloro-3-(thiophen-2-ylmethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
N-[4-chloro-3-(thiophen-2-ylmethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 363.87 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(thiophen-2-ylmethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119342337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).