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

C21H27N3O3S2 — CID 42379499

IUPACN-[[7-(2-cyclopentylacetyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide
SMILESCc1ncc2c(c1CNS(=O)(=O)c1cccs1)CCN(C(=O)CC1CCCC1)C2
InChIInChI=1S/C21H27N3O3S2/c1-15-19(13-23-29(26,27)21-7-4-10-28-21)18-8-9-24(14-17(18)12-22-15)20(25)11-16-5-2-3-6-16/h4,7,10,12,16,23H,2-3,5-6,8-9,11,13-14H2,1H3
InChIKeyXXDWKKDSCXDSQN-UHFFFAOYSA-N
MW433.60 g/mol
LogP3.40
Rot. Bonds6

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

N-[[7-(2-cyclopentylacetyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide (PubChem CID 42379499) has the molecular formula C21H27N3O3S2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[[7-(2-cyclopentylacetyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[7-(2-cyclopentylacetyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide
PubChem CID42379499
Molecular FormulaC21H27N3O3S2
Molecular Weight433.60 g/mol
Exact Mass433.15
IUPAC NameN-[[7-(2-cyclopentylacetyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide
SMILESCc1ncc2c(c1CNS(=O)(=O)c1cccs1)CCN(C(=O)CC1CCCC1)C2
InChIInChI=1S/C21H27N3O3S2/c1-15-19(13-23-29(26,27)21-7-4-10-28-21)18-8-9-24(14-17(18)12-22-15)20(25)11-16-5-2-3-6-16/h4,7,10,12,16,23H,2-3,5-6,8-9,11,13-14H2,1H3
InChIKeyXXDWKKDSCXDSQN-UHFFFAOYSA-N
XLogP3.40
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(2-cyclopentylacetyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[7-(2-cyclopentylacetyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide (CID 42379499) is N-[[7-(2-cyclopentylacetyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[7-(2-cyclopentylacetyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[7-(2-cyclopentylacetyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide is Cc1ncc2c(c1CNS(=O)(=O)c1cccs1)CCN(C(=O)CC1CCCC1)C2.
What is the InChIKey of N-[[7-(2-cyclopentylacetyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is XXDWKKDSCXDSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S2/c1-15-19(13-23-29(26,27)21-7-4-10-28-21)18-8-9-24(14-17(18)12-22-15)20(25)11-16-5-2-3-6-16/h4,7,10,12,16,23H,2-3,5-6,8-9,11,13-14H2,1H3.
What are the key properties of N-[[7-(2-cyclopentylacetyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide?
N-[[7-(2-cyclopentylacetyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 433.60 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(2-cyclopentylacetyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 42379499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).