N-[3-(cyclopentylsulfamoyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide

C19H25N3O4S2 — CID 118732081

IUPACN-[3-(cyclopentylsulfamoyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2csc(=O)[nH]2)cc(S(=O)(=O)NC2CCCC2)c1C
InChIInChI=1S/C19H25N3O4S2/c1-3-6-18(23)20-15-9-13(16-11-27-19(24)21-16)10-17(12(15)2)28(25,26)22-14-7-4-5-8-14/h9-11,14,22H,3-8H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyNUEYUQNAYOYDMQ-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.37
Rot. Bonds7

About N-[3-(cyclopentylsulfamoyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide

N-[3-(cyclopentylsulfamoyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 118732081) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[3-(cyclopentylsulfamoyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[3-(cyclopentylsulfamoyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide
PubChem CID118732081
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC NameN-[3-(cyclopentylsulfamoyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2csc(=O)[nH]2)cc(S(=O)(=O)NC2CCCC2)c1C
InChIInChI=1S/C19H25N3O4S2/c1-3-6-18(23)20-15-9-13(16-11-27-19(24)21-16)10-17(12(15)2)28(25,26)22-14-7-4-5-8-14/h9-11,14,22H,3-8H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyNUEYUQNAYOYDMQ-UHFFFAOYSA-N
XLogP3.37
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentylsulfamoyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide?
The IUPAC name of N-[3-(cyclopentylsulfamoyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide (CID 118732081) is N-[3-(cyclopentylsulfamoyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide.
What is the SMILES notation for N-[3-(cyclopentylsulfamoyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide?
The canonical SMILES for N-[3-(cyclopentylsulfamoyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide is CCCC(=O)Nc1cc(-c2csc(=O)[nH]2)cc(S(=O)(=O)NC2CCCC2)c1C.
What is the InChIKey of N-[3-(cyclopentylsulfamoyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide?
The InChIKey is NUEYUQNAYOYDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-3-6-18(23)20-15-9-13(16-11-27-19(24)21-16)10-17(12(15)2)28(25,26)22-14-7-4-5-8-14/h9-11,14,22H,3-8H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[3-(cyclopentylsulfamoyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide?
N-[3-(cyclopentylsulfamoyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide has a molecular weight of 423.56 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentylsulfamoyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 118732081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).