4-[(1-amino-2-cyclohexyl-3,3-dimethyl-1-oxobutan-2-yl)sulfamoyl]benzamide

C19H29N3O4S — CID 18513134

IUPAC4-[(1-amino-2-cyclohexyl-3,3-dimethyl-1-oxobutan-2-yl)sulfamoyl]benzamide
SMILESCC(C)(C)C(NS(=O)(=O)c1ccc(C(N)=O)cc1)(C(N)=O)C1CCCCC1
InChIInChI=1S/C19H29N3O4S/c1-18(2,3)19(17(21)24,14-7-5-4-6-8-14)22-27(25,26)15-11-9-13(10-12-15)16(20)23/h9-12,14,22H,4-8H2,1-3H3,(H2,20,23)(H2,21,24)
InChIKeyPXFVMQALIZDPKI-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.91
Rot. Bonds6

About 4-[(1-amino-2-cyclohexyl-3,3-dimethyl-1-oxobutan-2-yl)sulfamoyl]benzamide

4-[(1-amino-2-cyclohexyl-3,3-dimethyl-1-oxobutan-2-yl)sulfamoyl]benzamide (PubChem CID 18513134) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 4-[(1-amino-2-cyclohexyl-3,3-dimethyl-1-oxobutan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[(1-amino-2-cyclohexyl-3,3-dimethyl-1-oxobutan-2-yl)sulfamoyl]benzamide
PubChem CID18513134
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name4-[(1-amino-2-cyclohexyl-3,3-dimethyl-1-oxobutan-2-yl)sulfamoyl]benzamide
SMILESCC(C)(C)C(NS(=O)(=O)c1ccc(C(N)=O)cc1)(C(N)=O)C1CCCCC1
InChIInChI=1S/C19H29N3O4S/c1-18(2,3)19(17(21)24,14-7-5-4-6-8-14)22-27(25,26)15-11-9-13(10-12-15)16(20)23/h9-12,14,22H,4-8H2,1-3H3,(H2,20,23)(H2,21,24)
InChIKeyPXFVMQALIZDPKI-UHFFFAOYSA-N
XLogP1.91
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(1-amino-2-cyclohexyl-3,3-dimethyl-1-oxobutan-2-yl)sulfamoyl]benzamide 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

4-[(1-amino-2-cyclohexyl-1-oxo-4-phenylbutan-2-yl)sulfamoyl]benzamide
CID 18513135
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide
CID 107848473
4-(cyclopentyloxysulfamoyl)benzamide
CID 83229494
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]benzamide
CID 106737961
4-(methylsulfamoyl)benzamide
CID 43241290
4-(tert-butylsulfamoyl)-N-cyclopentylbenzamide
CID 18106170
4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide
CID 115310574
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 120607111
4-[amino(cyclohexyl)sulfamoyl]benzamide
CID 123734526
4-[(1-phenylcyclohexyl)methylsulfamoyl]benzamide
CID 46457755
1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172930

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-2-cyclohexyl-3,3-dimethyl-1-oxobutan-2-yl)sulfamoyl]benzamide?
The IUPAC name of 4-[(1-amino-2-cyclohexyl-3,3-dimethyl-1-oxobutan-2-yl)sulfamoyl]benzamide (CID 18513134) is 4-[(1-amino-2-cyclohexyl-3,3-dimethyl-1-oxobutan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for 4-[(1-amino-2-cyclohexyl-3,3-dimethyl-1-oxobutan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for 4-[(1-amino-2-cyclohexyl-3,3-dimethyl-1-oxobutan-2-yl)sulfamoyl]benzamide is CC(C)(C)C(NS(=O)(=O)c1ccc(C(N)=O)cc1)(C(N)=O)C1CCCCC1.
What is the InChIKey of 4-[(1-amino-2-cyclohexyl-3,3-dimethyl-1-oxobutan-2-yl)sulfamoyl]benzamide?
The InChIKey is PXFVMQALIZDPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-18(2,3)19(17(21)24,14-7-5-4-6-8-14)22-27(25,26)15-11-9-13(10-12-15)16(20)23/h9-12,14,22H,4-8H2,1-3H3,(H2,20,23)(H2,21,24).
What are the key properties of 4-[(1-amino-2-cyclohexyl-3,3-dimethyl-1-oxobutan-2-yl)sulfamoyl]benzamide?
4-[(1-amino-2-cyclohexyl-3,3-dimethyl-1-oxobutan-2-yl)sulfamoyl]benzamide has a molecular weight of 395.53 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-2-cyclohexyl-3,3-dimethyl-1-oxobutan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 18513134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).