N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrrolidine-3-carboxamide

C17H19N3O2S — CID 119777460

IUPACN-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Cc1cccs1)Nc1ccccc1NC(=O)C1CCNC1
InChIInChI=1S/C17H19N3O2S/c21-16(10-13-4-3-9-23-13)19-14-5-1-2-6-15(14)20-17(22)12-7-8-18-11-12/h1-6,9,12,18H,7-8,10-11H2,(H,19,21)(H,20,22)
InChIKeyUKAUVDNWLOXYRC-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.48
Rot. Bonds5

About N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrrolidine-3-carboxamide

N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrrolidine-3-carboxamide (PubChem CID 119777460) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrrolidine-3-carboxamide
PubChem CID119777460
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Cc1cccs1)Nc1ccccc1NC(=O)C1CCNC1
InChIInChI=1S/C17H19N3O2S/c21-16(10-13-4-3-9-23-13)19-14-5-1-2-6-15(14)20-17(22)12-7-8-18-11-12/h1-6,9,12,18H,7-8,10-11H2,(H,19,21)(H,20,22)
InChIKeyUKAUVDNWLOXYRC-UHFFFAOYSA-N
XLogP2.48
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]piperidine-4-carboxamide
CID 119320001
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925
N-[3-[(2-thiophen-2-ylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570342
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide
CID 43709708
N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006819
N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 63007076
1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one
CID 116568317
(3R)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81123819
N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119674755

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrrolidine-3-carboxamide (CID 119777460) is N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrrolidine-3-carboxamide is O=C(Cc1cccs1)Nc1ccccc1NC(=O)C1CCNC1.
What is the InChIKey of N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is UKAUVDNWLOXYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-16(10-13-4-3-9-23-13)19-14-5-1-2-6-15(14)20-17(22)12-7-8-18-11-12/h1-6,9,12,18H,7-8,10-11H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrrolidine-3-carboxamide?
N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119777460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).