N-[[7-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-sulfonamide

C23H23N3O4S2 — CID 56852239

IUPACN-[[7-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-sulfonamide
SMILESCc1ncc2c(c1CNS(=O)(=O)c1ccsc1)CCN(C(=O)C1Cc3ccccc3O1)C2
InChIInChI=1S/C23H23N3O4S2/c1-15-20(12-25-32(28,29)18-7-9-31-14-18)19-6-8-26(13-17(19)11-24-15)23(27)22-10-16-4-2-3-5-21(16)30-22/h2-5,7,9,11,14,22,25H,6,8,10,12-13H2,1H3
InChIKeyQLDXBARQJISQNT-UHFFFAOYSA-N
MW469.59 g/mol
LogP2.82
Rot. Bonds5

About N-[[7-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-sulfonamide

N-[[7-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-sulfonamide (PubChem CID 56852239) has the molecular formula C23H23N3O4S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[[7-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[[7-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-sulfonamide
PubChem CID56852239
Molecular FormulaC23H23N3O4S2
Molecular Weight469.59 g/mol
Exact Mass469.11
IUPAC NameN-[[7-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-sulfonamide
SMILESCc1ncc2c(c1CNS(=O)(=O)c1ccsc1)CCN(C(=O)C1Cc3ccccc3O1)C2
InChIInChI=1S/C23H23N3O4S2/c1-15-20(12-25-32(28,29)18-7-9-31-14-18)19-6-8-26(13-17(19)11-24-15)23(27)22-10-16-4-2-3-5-21(16)30-22/h2-5,7,9,11,14,22,25H,6,8,10,12-13H2,1H3
InChIKeyQLDXBARQJISQNT-UHFFFAOYSA-N
XLogP2.82
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[7-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 56858282
5-acetyl-N-[[7-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide
CID 42379874
N-[[7-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzenesulfonamide
CID 42212379
N-[[7-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 45166479
N-[[7-(2-cyclopentylacetyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide
CID 42379499
N-[[7-(2,3-dihydro-1H-inden-2-yl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 126466083
N-[[3-methyl-7-[2-(2-methyl-1H-indol-3-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
CID 56853616
N-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide
CID 26346929
N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide
CID 42167370
5-[(dimethylsulfamoylamino)methyl]-2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine
CID 42326538
N-[[7-(4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]ethanesulfonamide
CID 42340499
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

Frequently Asked Questions

What is the IUPAC name of N-[[7-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-sulfonamide?
The IUPAC name of N-[[7-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-sulfonamide (CID 56852239) is N-[[7-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-[[7-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-[[7-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-sulfonamide is Cc1ncc2c(c1CNS(=O)(=O)c1ccsc1)CCN(C(=O)C1Cc3ccccc3O1)C2.
What is the InChIKey of N-[[7-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-sulfonamide?
The InChIKey is QLDXBARQJISQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S2/c1-15-20(12-25-32(28,29)18-7-9-31-14-18)19-6-8-26(13-17(19)11-24-15)23(27)22-10-16-4-2-3-5-21(16)30-22/h2-5,7,9,11,14,22,25H,6,8,10,12-13H2,1H3.
What are the key properties of N-[[7-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-sulfonamide?
N-[[7-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-sulfonamide has a molecular weight of 469.59 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 56852239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).