N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylquinoline-5-sulfonamide

C20H23N3O3S — CID 144852412

IUPACN-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylquinoline-5-sulfonamide
SMILESCc1ccc2c(S(=O)(=O)NC3CCCC3)cc(-c3c(C)noc3C)cc2n1
InChIInChI=1S/C20H23N3O3S/c1-12-8-9-17-18(21-12)10-15(20-13(2)22-26-14(20)3)11-19(17)27(24,25)23-16-6-4-5-7-16/h8-11,16,23H,4-7H2,1-3H3
InChIKeyUTUYBUACGGPULK-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.04
Rot. Bonds4

About N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylquinoline-5-sulfonamide

N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylquinoline-5-sulfonamide (PubChem CID 144852412) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylquinoline-5-sulfonamide
PubChem CID144852412
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylquinoline-5-sulfonamide
SMILESCc1ccc2c(S(=O)(=O)NC3CCCC3)cc(-c3c(C)noc3C)cc2n1
InChIInChI=1S/C20H23N3O3S/c1-12-8-9-17-18(21-12)10-15(20-13(2)22-26-14(20)3)11-19(17)27(24,25)23-16-6-4-5-7-16/h8-11,16,23H,4-7H2,1-3H3
InChIKeyUTUYBUACGGPULK-UHFFFAOYSA-N
XLogP4.04
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide
CID 118094028
N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
CID 53054200
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(methylamino)-2-oxo-1H-quinoline-5-sulfonamide
CID 118094016
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-2-oxo-1H-quinoline-5-sulfonamide
CID 118093993
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-pyridin-3-yl-1H-quinoline-5-sulfonamide
CID 91799311
N-cyclopentyl-3-(1,3-dihydroxypropan-2-ylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide
CID 118094082
N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide
CID 86282834
N-cyclopentyl-3-[3-(dimethylamino)propylamino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-quinoline-5-sulfonamide
CID 118093992
trans-(1R,2R)-N-(2-aminoethyl)-2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-5-yl]sulfonylamino]cyclopentane-1-carboxamide
CID 118094080
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-hydroxyethoxy)ethylamino]-2-oxo-1H-quinoline-5-sulfonamide
CID 118094036
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R)-2-(piperazine-1-carbonyl)cyclopentyl]quinoline-5-sulfonamide
CID 118094012
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-oxo-1H-quinoline-5-sulfonamide
CID 144852369

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylquinoline-5-sulfonamide?
The IUPAC name of N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylquinoline-5-sulfonamide (CID 144852412) is N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylquinoline-5-sulfonamide.
What is the SMILES notation for N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylquinoline-5-sulfonamide?
The canonical SMILES for N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylquinoline-5-sulfonamide is Cc1ccc2c(S(=O)(=O)NC3CCCC3)cc(-c3c(C)noc3C)cc2n1.
What is the InChIKey of N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylquinoline-5-sulfonamide?
The InChIKey is UTUYBUACGGPULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-12-8-9-17-18(21-12)10-15(20-13(2)22-26-14(20)3)11-19(17)27(24,25)23-16-6-4-5-7-16/h8-11,16,23H,4-7H2,1-3H3.
What are the key properties of N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylquinoline-5-sulfonamide?
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylquinoline-5-sulfonamide has a molecular weight of 385.49 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylquinoline-5-sulfonamide is sourced from PubChem (CID 144852412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).