N-[phenyl(thiophen-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

C21H26N2OS — CID 131924641

IUPACN-[phenyl(thiophen-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1cccs1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C21H26N2OS/c24-20(21(12-4-5-13-21)23-14-6-7-15-23)22-19(18-11-8-16-25-18)17-9-2-1-3-10-17/h1-3,8-11,16,19H,4-7,12-15H2,(H,22,24)
InChIKeyWXWFVEBWEMMEKQ-UHFFFAOYSA-N
MW354.52 g/mol
LogP4.36
Rot. Bonds5

About N-[phenyl(thiophen-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

N-[phenyl(thiophen-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (PubChem CID 131924641) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is N-[phenyl(thiophen-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[phenyl(thiophen-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
PubChem CID131924641
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC NameN-[phenyl(thiophen-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1cccs1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C21H26N2OS/c24-20(21(12-4-5-13-21)23-14-6-7-15-23)22-19(18-11-8-16-25-18)17-9-2-1-3-10-17/h1-3,8-11,16,19H,4-7,12-15H2,(H,22,24)
InChIKeyWXWFVEBWEMMEKQ-UHFFFAOYSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
CID 131921884
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 91778355
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 99940755
N-[(1R)-2-hydroxy-1-phenylethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 50984628
N-[furan-2-yl(phenyl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
CID 131894982
N-[(R)-phenyl(thiophen-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 125446395
1,1-dioxo-N-[phenyl(thiophen-2-yl)methyl]thiolane-3-carboxamide
CID 18090427
2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 62733554
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46565052
(2R)-N-[(S)-phenyl(thiophen-2-yl)methyl]oxolane-2-carboxamide
CID 38010742
2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9290006

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(thiophen-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[phenyl(thiophen-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (CID 131924641) is N-[phenyl(thiophen-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[phenyl(thiophen-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[phenyl(thiophen-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is O=C(NC(c1ccccc1)c1cccs1)C1(N2CCCC2)CCCC1.
What is the InChIKey of N-[phenyl(thiophen-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The InChIKey is WXWFVEBWEMMEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c24-20(21(12-4-5-13-21)23-14-6-7-15-23)22-19(18-11-8-16-25-18)17-9-2-1-3-10-17/h1-3,8-11,16,19H,4-7,12-15H2,(H,22,24).
What are the key properties of N-[phenyl(thiophen-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
N-[phenyl(thiophen-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide has a molecular weight of 354.52 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(thiophen-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 131924641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).