N-[[7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide

About N-[[7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide

N-[[7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide (PubChem CID 42358044) has the molecular formula C24H25N3O4S2 and a molecular weight of 483.62 g/mol. Its IUPAC name is N-[[7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name	N-[[7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide
PubChem CID	42358044
Molecular Formula	C24H25N3O4S2
Molecular Weight	483.62 g/mol
Exact Mass	483.13
IUPAC Name	N-[[7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide
SMILES	COc1ccc(/C=C/C(=O)N2CCc3c(cnc(C)c3CNS(=O)(=O)c3cccs3)C2)cc1
InChI	InChI=1S/C24H25N3O4S2/c1-17-22(15-26-33(29,30)24-4-3-13-32-24)21-11-12-27(16-19(21)14-25-17)23(28)10-7-18-5-8-20(31-2)9-6-18/h3-10,13-14,26H,11-12,15-16H2,1-2H3/b10-7+
InChIKey	IVYHGTSLTPYRHH-JXMROGBWSA-N
XLogP	3.54
TPSA	88.60 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.62
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[[7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide?

The IUPAC name of N-[[7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide (CID 42358044) is N-[[7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide.

What is the SMILES notation for N-[[7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide?

The canonical SMILES for N-[[7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide is COc1ccc(/C=C/C(=O)N2CCc3c(cnc(C)c3CNS(=O)(=O)c3cccs3)C2)cc1.

What is the InChIKey of N-[[7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide?

The InChIKey is IVYHGTSLTPYRHH-JXMROGBWSA-N. The full InChI is InChI=1S/C24H25N3O4S2/c1-17-22(15-26-33(29,30)24-4-3-13-32-24)21-11-12-27(16-19(21)14-25-17)23(28)10-7-18-5-8-20(31-2)9-6-18/h3-10,13-14,26H,11-12,15-16H2,1-2H3/b10-7+.

What are the key properties of N-[[7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide?

N-[[7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 483.62 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 42358044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).