N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[3.5]nonane-7-carboxamide

C19H23N3O3S2 — CID 70789381

IUPACN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCC2(CCC2)CC1
InChIInChI=1S/C19H23N3O3S2/c23-17(14-6-10-19(11-7-14)8-1-9-19)21-15-2-4-16(5-3-15)27(24,25)22-18-20-12-13-26-18/h2-5,12-14H,1,6-11H2,(H,20,22)(H,21,23)
InChIKeyPPYRWXXKWREOAS-UHFFFAOYSA-N
MW405.55 g/mol
LogP4.24
Rot. Bonds5

About N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[3.5]nonane-7-carboxamide

N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[3.5]nonane-7-carboxamide (PubChem CID 70789381) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[3.5]nonane-7-carboxamide
PubChem CID70789381
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC NameN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCC2(CCC2)CC1
InChIInChI=1S/C19H23N3O3S2/c23-17(14-6-10-19(11-7-14)8-1-9-19)21-15-2-4-16(5-3-15)27(24,25)22-18-20-12-13-26-18/h2-5,12-14H,1,6-11H2,(H,20,22)(H,21,23)
InChIKeyPPYRWXXKWREOAS-UHFFFAOYSA-N
XLogP4.24
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[3.5]nonane-7-carboxamide (CID 70789381) is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[3.5]nonane-7-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCC2(CCC2)CC1.
What is the InChIKey of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[3.5]nonane-7-carboxamide?
The InChIKey is PPYRWXXKWREOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c23-17(14-6-10-19(11-7-14)8-1-9-19)21-15-2-4-16(5-3-15)27(24,25)22-18-20-12-13-26-18/h2-5,12-14H,1,6-11H2,(H,20,22)(H,21,23).
What are the key properties of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[3.5]nonane-7-carboxamide?
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[3.5]nonane-7-carboxamide has a molecular weight of 405.55 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 70789381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).