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

C18H23N3O4S2 — CID 118732080

IUPACN-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2csc(=O)[nH]2)cc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C18H23N3O4S2/c1-2-5-17(22)19-14-8-12(16-11-26-18(23)20-16)9-15(10-14)27(24,25)21-13-6-3-4-7-13/h8-11,13,21H,2-7H2,1H3,(H,19,22)(H,20,23)
InChIKeyPPBRQXXICTVWPB-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.06
Rot. Bonds7

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

N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 118732080) has the molecular formula C18H23N3O4S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide
PubChem CID118732080
Molecular FormulaC18H23N3O4S2
Molecular Weight409.53 g/mol
Exact Mass409.11
IUPAC NameN-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2csc(=O)[nH]2)cc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C18H23N3O4S2/c1-2-5-17(22)19-14-8-12(16-11-26-18(23)20-16)9-15(10-14)27(24,25)21-13-6-3-4-7-13/h8-11,13,21H,2-7H2,1H3,(H,19,22)(H,20,23)
InChIKeyPPBRQXXICTVWPB-UHFFFAOYSA-N
XLogP3.06
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide?
The IUPAC name of N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide (CID 118732080) is N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide.
What is the SMILES notation for N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide?
The canonical SMILES for N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide is CCCC(=O)Nc1cc(-c2csc(=O)[nH]2)cc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide?
The InChIKey is PPBRQXXICTVWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S2/c1-2-5-17(22)19-14-8-12(16-11-26-18(23)20-16)9-15(10-14)27(24,25)21-13-6-3-4-7-13/h8-11,13,21H,2-7H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide?
N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide has a molecular weight of 409.53 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 118732080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).