N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide

C18H22N2OS — CID 110403885

IUPACN-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCC(Cc1ccccc1)N1CCCC1)c1cccs1
InChIInChI=1S/C18H22N2OS/c21-18(17-9-6-12-22-17)19-14-16(20-10-4-5-11-20)13-15-7-2-1-3-8-15/h1-3,6-9,12,16H,4-5,10-11,13-14H2,(H,19,21)
InChIKeyRTDMDQIWYRKWLW-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.18
Rot. Bonds6

About N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide

N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide (PubChem CID 110403885) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
PubChem CID110403885
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCC(Cc1ccccc1)N1CCCC1)c1cccs1
InChIInChI=1S/C18H22N2OS/c21-18(17-9-6-12-22-17)19-14-16(20-10-4-5-11-20)13-15-7-2-1-3-8-15/h1-3,6-9,12,16H,4-5,10-11,13-14H2,(H,19,21)
InChIKeyRTDMDQIWYRKWLW-UHFFFAOYSA-N
XLogP3.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea
CID 110403915
methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate
CID 110403986
N-(3-phenyl-2-piperidin-1-ylpropyl)cyclopropanecarboxamide
CID 110403968
3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 110403888
2-cyclopropyl-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110611083
N-benzylthiophene-2-carboxamide
CID 574227
N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 35181299
N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 40847538
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 35041782
3-acetamido-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide
CID 110420824
2-(dimethylamino)-N-(3-phenyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 110617732
2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
CID 110404026

Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide (CID 110403885) is N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide is O=C(NCC(Cc1ccccc1)N1CCCC1)c1cccs1.
What is the InChIKey of N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide?
The InChIKey is RTDMDQIWYRKWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c21-18(17-9-6-12-22-17)19-14-16(20-10-4-5-11-20)13-15-7-2-1-3-8-15/h1-3,6-9,12,16H,4-5,10-11,13-14H2,(H,19,21).
What are the key properties of N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide?
N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 110403885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).