N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]benzamide

C16H16N2O2S — CID 3557976

IUPACN-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]benzamide
SMILESO=C(Nc1ccsc1C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C16H16N2O2S/c19-15(12-6-2-1-3-7-12)17-13-8-11-21-14(13)16(20)18-9-4-5-10-18/h1-3,6-8,11H,4-5,9-10H2,(H,17,19)
InChIKeyLAVVBUMJQNYFNP-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.24
Rot. Bonds3

About N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]benzamide

N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]benzamide (PubChem CID 3557976) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]benzamide
PubChem CID3557976
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]benzamide
SMILESO=C(Nc1ccsc1C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C16H16N2O2S/c19-15(12-6-2-1-3-7-12)17-13-8-11-21-14(13)16(20)18-9-4-5-10-18/h1-3,6-8,11H,4-5,9-10H2,(H,17,19)
InChIKeyLAVVBUMJQNYFNP-UHFFFAOYSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ureido-[2,3'-bithiophene]-5-carboxamide
CID 9813985
N-cyclohexyl-3-[(4-fluorobenzoyl)amino]-2-thiophenecarboxamide
CID 4204024
N-[2-(phenylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 715970
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
N-[1-(Pyrrolidine-1-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2179888
4-[[2-[Ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide
CID 4848136
N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9266297
3-(3-Methyl-ureido)-5-phenyl-thiophene-2-carboxylic acid amide
CID 11651993
3-methyl-N-[2-(pyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
CID 24983095

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]benzamide?
The IUPAC name of N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]benzamide (CID 3557976) is N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]benzamide.
What is the SMILES notation for N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]benzamide?
The canonical SMILES for N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]benzamide is O=C(Nc1ccsc1C(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]benzamide?
The InChIKey is LAVVBUMJQNYFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-15(12-6-2-1-3-7-12)17-13-8-11-21-14(13)16(20)18-9-4-5-10-18/h1-3,6-8,11H,4-5,9-10H2,(H,17,19).
What are the key properties of N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]benzamide?
N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]benzamide has a molecular weight of 300.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]benzamide is sourced from PubChem (CID 3557976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).