N-cyclopentyl-2-methyl-3-(methylamino)-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide

C16H21N3O3S2 — CID 118732084

IUPACN-cyclopentyl-2-methyl-3-(methylamino)-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCNc1cc(-c2csc(=O)[nH]2)cc(S(=O)(=O)NC2CCCC2)c1C
InChIInChI=1S/C16H21N3O3S2/c1-10-13(17-2)7-11(14-9-23-16(20)18-14)8-15(10)24(21,22)19-12-5-3-4-6-12/h7-9,12,17,19H,3-6H2,1-2H3,(H,18,20)
InChIKeyKIEUYMUJJNEEPZ-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.67
Rot. Bonds5

About N-cyclopentyl-2-methyl-3-(methylamino)-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide

N-cyclopentyl-2-methyl-3-(methylamino)-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 118732084) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-3-(methylamino)-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-3-(methylamino)-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID118732084
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC NameN-cyclopentyl-2-methyl-3-(methylamino)-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCNc1cc(-c2csc(=O)[nH]2)cc(S(=O)(=O)NC2CCCC2)c1C
InChIInChI=1S/C16H21N3O3S2/c1-10-13(17-2)7-11(14-9-23-16(20)18-14)8-15(10)24(21,22)19-12-5-3-4-6-12/h7-9,12,17,19H,3-6H2,1-2H3,(H,18,20)
InChIKeyKIEUYMUJJNEEPZ-UHFFFAOYSA-N
XLogP2.67
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-3-(methylamino)-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-2-methyl-3-(methylamino)-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide (CID 118732084) is N-cyclopentyl-2-methyl-3-(methylamino)-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-3-(methylamino)-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-2-methyl-3-(methylamino)-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide is CNc1cc(-c2csc(=O)[nH]2)cc(S(=O)(=O)NC2CCCC2)c1C.
What is the InChIKey of N-cyclopentyl-2-methyl-3-(methylamino)-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is KIEUYMUJJNEEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-10-13(17-2)7-11(14-9-23-16(20)18-14)8-15(10)24(21,22)19-12-5-3-4-6-12/h7-9,12,17,19H,3-6H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopentyl-2-methyl-3-(methylamino)-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
N-cyclopentyl-2-methyl-3-(methylamino)-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 367.50 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-3-(methylamino)-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 118732084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).