cis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

C19H17N3O3S2 — CID 1009601

IUPACcis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C19H17N3O3S2/c23-18(17-12-16(17)13-4-2-1-3-5-13)21-14-6-8-15(9-7-14)27(24,25)22-19-20-10-11-26-19/h1-11,16-17H,12H2,(H,20,22)(H,21,23)/t16-,17-/m0/s1
InChIKeyIZTOXBAVGARGNF-IRXDYDNUSA-N
MW399.50 g/mol
LogP3.69
Rot. Bonds6

About cis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 1009601) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is cis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
PubChem CID1009601
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC Namecis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C19H17N3O3S2/c23-18(17-12-16(17)13-4-2-1-3-5-13)21-14-6-8-15(9-7-14)27(24,25)22-19-20-10-11-26-19/h1-11,16-17H,12H2,(H,20,22)(H,21,23)/t16-,17-/m0/s1
InChIKeyIZTOXBAVGARGNF-IRXDYDNUSA-N
XLogP3.69
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (CID 1009601) is cis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1C[C@H]1c1ccccc1.
What is the InChIKey of cis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is IZTOXBAVGARGNF-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c23-18(17-12-16(17)13-4-2-1-3-5-13)21-14-6-8-15(9-7-14)27(24,25)22-19-20-10-11-26-19/h1-11,16-17H,12H2,(H,20,22)(H,21,23)/t16-,17-/m0/s1.
What are the key properties of cis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 1009601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).