4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide

C18H29N3O3S — CID 119432186

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-19-13-6-14-20-18(22)15-9-11-17(12-10-15)25(23,24)21(2)16-7-4-3-5-8-16/h9-12,16,19H,3-8,13-14H2,1-2H3,(H,20,22)
InChIKeyXKTRSAJXGCNGMV-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.98
Rot. Bonds8

About 4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide

4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide (PubChem CID 119432186) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
PubChem CID119432186
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-19-13-6-14-20-18(22)15-9-11-17(12-10-15)25(23,24)21(2)16-7-4-3-5-8-16/h9-12,16,19H,3-8,13-14H2,1-2H3,(H,20,22)
InChIKeyXKTRSAJXGCNGMV-UHFFFAOYSA-N
XLogP1.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
CID 119384031
N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 55805978
4-[cyclohexyl(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 55450487
N-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide
CID 46494457
N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide
CID 26906866
4-[cyclohexyl(methyl)sulfamoyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 46485483
4-[cyclohexyl(methyl)sulfamoyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 55565647
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645778
4-[cyclohexyl(methyl)sulfamoyl]-N-cyclopentyl-N-ethylbenzamide
CID 134060936
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26458905
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26313001

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide (CID 119432186) is 4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide is CNCCCNC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide?
The InChIKey is XKTRSAJXGCNGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-19-13-6-14-20-18(22)15-9-11-17(12-10-15)25(23,24)21(2)16-7-4-3-5-8-16/h9-12,16,19H,3-8,13-14H2,1-2H3,(H,20,22).
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide?
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide has a molecular weight of 367.52 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide is sourced from PubChem (CID 119432186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).