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

C22H28N2O3S — CID 53171233

IUPAC5-cyclopentyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc3c(s2)CN(C2CCCC2)C3)cc1OC
InChIInChI=1S/C22H28N2O3S/c1-14(15-8-9-18(26-2)19(10-15)27-3)23-22(25)20-11-16-12-24(13-21(16)28-20)17-6-4-5-7-17/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,23,25)
InChIKeyXGDVPBSNUMAYBM-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.51
Rot. Bonds6

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

5-cyclopentyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53171233) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 5-cyclopentyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-cyclopentyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53171233
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name5-cyclopentyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc3c(s2)CN(C2CCCC2)C3)cc1OC
InChIInChI=1S/C22H28N2O3S/c1-14(15-8-9-18(26-2)19(10-15)27-3)23-22(25)20-11-16-12-24(13-21(16)28-20)17-6-4-5-7-17/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,23,25)
InChIKeyXGDVPBSNUMAYBM-UHFFFAOYSA-N
XLogP4.51
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclopentyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide with MolForge

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Related Compounds

5-cyclopentyl-N-[1-(4-methoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171231
5-cyclopropyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171137
N-[1-(3,4-dimethoxyphenyl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 17329679
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
N-[5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55745988
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
2-(cyclohexylamino)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 95394562
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide
CID 55780983
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 5-cyclopentyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 53171233) is 5-cyclopentyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-cyclopentyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-cyclopentyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is COc1ccc(C(C)NC(=O)c2cc3c(s2)CN(C2CCCC2)C3)cc1OC.
What is the InChIKey of 5-cyclopentyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is XGDVPBSNUMAYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-14(15-8-9-18(26-2)19(10-15)27-3)23-22(25)20-11-16-12-24(13-21(16)28-20)17-6-4-5-7-17/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,23,25).
What are the key properties of 5-cyclopentyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
5-cyclopentyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53171233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).