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

C18H21N3O4S2 — CID 91809476

IUPACN-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2csc(=O)[nH]2)cc(S(=O)(=O)NC2CCCC2)c1)C1CC1
InChIInChI=1S/C18H21N3O4S2/c22-17(11-5-6-11)19-14-7-12(16-10-26-18(23)20-16)8-15(9-14)27(24,25)21-13-3-1-2-4-13/h7-11,13,21H,1-6H2,(H,19,22)(H,20,23)
InChIKeyOLJJIVPNEQZRJR-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.67
Rot. Bonds6

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

N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide (PubChem CID 91809476) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
PubChem CID91809476
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC NameN-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2csc(=O)[nH]2)cc(S(=O)(=O)NC2CCCC2)c1)C1CC1
InChIInChI=1S/C18H21N3O4S2/c22-17(11-5-6-11)19-14-7-12(16-10-26-18(23)20-16)8-15(9-14)27(24,25)21-13-3-1-2-4-13/h7-11,13,21H,1-6H2,(H,19,22)(H,20,23)
InChIKeyOLJJIVPNEQZRJR-UHFFFAOYSA-N
XLogP2.67
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
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-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide (CID 91809476) is N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide is O=C(Nc1cc(-c2csc(=O)[nH]2)cc(S(=O)(=O)NC2CCCC2)c1)C1CC1.
What is the InChIKey of N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is OLJJIVPNEQZRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c22-17(11-5-6-11)19-14-7-12(16-10-26-18(23)20-16)8-15(9-14)27(24,25)21-13-3-1-2-4-13/h7-11,13,21H,1-6H2,(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]cyclopropanecarboxamide?
N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.67, 6 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]cyclopropanecarboxamide is sourced from PubChem (CID 91809476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).