N-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide

C17H20N2OS — CID 45178110

IUPACN-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(C2CCCN2)s1
InChIInChI=1S/C17H20N2OS/c20-17(19-12-10-13-5-2-1-3-6-13)16-9-8-15(21-16)14-7-4-11-18-14/h1-3,5-6,8-9,14,18H,4,7,10-12H2,(H,19,20)
InChIKeyVFNSSVPMLAOERW-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.15
Rot. Bonds5

About N-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide

N-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide (PubChem CID 45178110) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
PubChem CID45178110
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(C2CCCN2)s1
InChIInChI=1S/C17H20N2OS/c20-17(19-12-10-13-5-2-1-3-6-13)16-9-8-15(21-16)14-7-4-11-18-14/h1-3,5-6,8-9,14,18H,4,7,10-12H2,(H,19,20)
InChIKeyVFNSSVPMLAOERW-UHFFFAOYSA-N
XLogP3.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoroethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45208476
N-(2-phenylethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide
CID 110257602
N-pyridin-2-yl-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45236193
N-[[1-(dimethylamino)cyclohexyl]methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 154924430
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45185745
N-(6-oxo-1H-pyridin-3-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 166305537
N-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide
CID 31223583
N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45206060
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide
CID 29153043
5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide
CID 31017599
N-[2-oxo-2-(quinolin-8-ylamino)ethyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 166261329
4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 19205118

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide?
The IUPAC name of N-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide (CID 45178110) is N-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide is O=C(NCCc1ccccc1)c1ccc(C2CCCN2)s1.
What is the InChIKey of N-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide?
The InChIKey is VFNSSVPMLAOERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c20-17(19-12-10-13-5-2-1-3-6-13)16-9-8-15(21-16)14-7-4-11-18-14/h1-3,5-6,8-9,14,18H,4,7,10-12H2,(H,19,20).
What are the key properties of N-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide?
N-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 45178110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).