5-cyclopentyl-N-[1-(4-methoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C21H26N2O2S — CID 53171231

IUPAC5-cyclopentyl-N-[1-(4-methoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc3c(s2)CN(C2CCCC2)C3)cc1
InChIInChI=1S/C21H26N2O2S/c1-14(15-7-9-18(25-2)10-8-15)22-21(24)19-11-16-12-23(13-20(16)26-19)17-5-3-4-6-17/h7-11,14,17H,3-6,12-13H2,1-2H3,(H,22,24)
InChIKeyZXPRLMZGNXOHMF-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.51
Rot. Bonds5

About 5-cyclopentyl-N-[1-(4-methoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

5-cyclopentyl-N-[1-(4-methoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53171231) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 5-cyclopentyl-N-[1-(4-methoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-cyclopentyl-N-[1-(4-methoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53171231
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name5-cyclopentyl-N-[1-(4-methoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc3c(s2)CN(C2CCCC2)C3)cc1
InChIInChI=1S/C21H26N2O2S/c1-14(15-7-9-18(25-2)10-8-15)22-21(24)19-11-16-12-23(13-20(16)26-19)17-5-3-4-6-17/h7-11,14,17H,3-6,12-13H2,1-2H3,(H,22,24)
InChIKeyZXPRLMZGNXOHMF-UHFFFAOYSA-N
XLogP4.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopentyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171233
5-cyclopropyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171137
5-cyclopropyl-N-[1-(2,4-dimethylphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171147
5-cyclopentyl-N-(4-methylphenyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171174
5-cyclopentyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid
CID 83290816
5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171113
N-[1-(3,4-dimethoxyphenyl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 17329679
2-amino-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 66197001
N-[(1R)-1-phenylethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9032455
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 81363570
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
2-(cyclohexylamino)-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53365629

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-[1-(4-methoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 5-cyclopentyl-N-[1-(4-methoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 53171231) is 5-cyclopentyl-N-[1-(4-methoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-cyclopentyl-N-[1-(4-methoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-cyclopentyl-N-[1-(4-methoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is COc1ccc(C(C)NC(=O)c2cc3c(s2)CN(C2CCCC2)C3)cc1.
What is the InChIKey of 5-cyclopentyl-N-[1-(4-methoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is ZXPRLMZGNXOHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-14(15-7-9-18(25-2)10-8-15)22-21(24)19-11-16-12-23(13-20(16)26-19)17-5-3-4-6-17/h7-11,14,17H,3-6,12-13H2,1-2H3,(H,22,24).
What are the key properties of 5-cyclopentyl-N-[1-(4-methoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
5-cyclopentyl-N-[1-(4-methoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-[1-(4-methoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53171231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).