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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 67183
CID 67183
CID 998021
CID 998021
CID 1010637
CID 1010637
CID 503707
CID 503707
CID 3148020
CID 3148020
CID 903095
CID 903095
CID 784406
CID 784406
CID 1080629
CID 1080629
CID 5817814
CID 5817814
CID 998002
CID 998002
CID 694919
CID 694919
CID 1115153
CID 1115153

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).