2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C21H23N3O2S — CID 8759636

IUPAC2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)CN2CC=C(c3ccccc3)CC2)sc2c1CCC2
InChIInChI=1S/C21H23N3O2S/c22-20(26)19-16-7-4-8-17(16)27-21(19)23-18(25)13-24-11-9-15(10-12-24)14-5-2-1-3-6-14/h1-3,5-6,9H,4,7-8,10-13H2,(H2,22,26)(H,23,25)
InChIKeyBKYUTVRPSYQYGV-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.06
Rot. Bonds5

About 2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 8759636) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID8759636
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)CN2CC=C(c3ccccc3)CC2)sc2c1CCC2
InChIInChI=1S/C21H23N3O2S/c22-20(26)19-16-7-4-8-17(16)27-21(19)23-18(25)13-24-11-9-15(10-12-24)14-5-2-1-3-6-14/h1-3,5-6,9H,4,7-8,10-13H2,(H2,22,26)(H,23,25)
InChIKeyBKYUTVRPSYQYGV-UHFFFAOYSA-N
XLogP3.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 8552837
2-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 8759635
2-[(2-morpholin-4-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 675342
2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 705147
2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;oxalic acid
CID 2829805
2-(azepan-1-yl)-N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 1079410
2-[(2-phenoxyacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 732279
N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-piperazin-1-ylacetamide
CID 166199717
4-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobutanoic acid
CID 4983110
2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 38934612
ethyl 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 22198181
2-[(2-phenylacetyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 3362077

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 8759636) is 2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is NC(=O)c1c(NC(=O)CN2CC=C(c3ccccc3)CC2)sc2c1CCC2.
What is the InChIKey of 2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is BKYUTVRPSYQYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c22-20(26)19-16-7-4-8-17(16)27-21(19)23-18(25)13-24-11-9-15(10-12-24)14-5-2-1-3-6-14/h1-3,5-6,9H,4,7-8,10-13H2,(H2,22,26)(H,23,25).
What are the key properties of 2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 8759636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).