8-methyl-4-oxo-N-[(1-phenylcyclopentyl)methyl]thieno[3,2-c]chromene-2-carboxamide

C25H23NO3S — CID 20865567

IUPAC8-methyl-4-oxo-N-[(1-phenylcyclopentyl)methyl]thieno[3,2-c]chromene-2-carboxamide
SMILESCc1ccc2oc(=O)c3cc(C(=O)NCC4(c5ccccc5)CCCC4)sc3c2c1
InChIInChI=1S/C25H23NO3S/c1-16-9-10-20-18(13-16)22-19(24(28)29-20)14-21(30-22)23(27)26-15-25(11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,26,27)
InChIKeyDKZQFTKPDSWLKO-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.56
Rot. Bonds4

About 8-methyl-4-oxo-N-[(1-phenylcyclopentyl)methyl]thieno[3,2-c]chromene-2-carboxamide

8-methyl-4-oxo-N-[(1-phenylcyclopentyl)methyl]thieno[3,2-c]chromene-2-carboxamide (PubChem CID 20865567) has the molecular formula C25H23NO3S and a molecular weight of 417.53 g/mol. Its IUPAC name is 8-methyl-4-oxo-N-[(1-phenylcyclopentyl)methyl]thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound Name8-methyl-4-oxo-N-[(1-phenylcyclopentyl)methyl]thieno[3,2-c]chromene-2-carboxamide
PubChem CID20865567
Molecular FormulaC25H23NO3S
Molecular Weight417.53 g/mol
Exact Mass417.14
IUPAC Name8-methyl-4-oxo-N-[(1-phenylcyclopentyl)methyl]thieno[3,2-c]chromene-2-carboxamide
SMILESCc1ccc2oc(=O)c3cc(C(=O)NCC4(c5ccccc5)CCCC4)sc3c2c1
InChIInChI=1S/C25H23NO3S/c1-16-9-10-20-18(13-16)22-19(24(28)29-20)14-21(30-22)23(27)26-15-25(11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,26,27)
InChIKeyDKZQFTKPDSWLKO-UHFFFAOYSA-N
XLogP5.56
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpiperidin-4-yl)-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 20865560
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 6619696
N-(2-cyanoethyl)-8-methyl-4-oxo-N-phenylthieno[3,2-c]chromene-2-carboxamide
CID 46256204
8-methyl-4-oxo-N-(1,3-thiazol-2-yl)thieno[3,2-c]chromene-2-carboxamide
CID 20865592
3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide
CID 16602422
2-hydroxy-4-methyl-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 32625534
2-oxo-N-[(1-phenylcyclopropyl)methyl]chromene-3-carboxamide
CID 42145626
1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495
3-methyl-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide
CID 24597403
N-(3-ethoxypropyl)-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 22334383
5-methyl-N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]thiophene-2-carboxamide
CID 18139468
N-(6-methoxy-1,3-benzothiazol-2-yl)-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 20865439

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-oxo-N-[(1-phenylcyclopentyl)methyl]thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of 8-methyl-4-oxo-N-[(1-phenylcyclopentyl)methyl]thieno[3,2-c]chromene-2-carboxamide (CID 20865567) is 8-methyl-4-oxo-N-[(1-phenylcyclopentyl)methyl]thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for 8-methyl-4-oxo-N-[(1-phenylcyclopentyl)methyl]thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for 8-methyl-4-oxo-N-[(1-phenylcyclopentyl)methyl]thieno[3,2-c]chromene-2-carboxamide is Cc1ccc2oc(=O)c3cc(C(=O)NCC4(c5ccccc5)CCCC4)sc3c2c1.
What is the InChIKey of 8-methyl-4-oxo-N-[(1-phenylcyclopentyl)methyl]thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is DKZQFTKPDSWLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3S/c1-16-9-10-20-18(13-16)22-19(24(28)29-20)14-21(30-22)23(27)26-15-25(11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,26,27).
What are the key properties of 8-methyl-4-oxo-N-[(1-phenylcyclopentyl)methyl]thieno[3,2-c]chromene-2-carboxamide?
8-methyl-4-oxo-N-[(1-phenylcyclopentyl)methyl]thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-oxo-N-[(1-phenylcyclopentyl)methyl]thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20865567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).