N-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide

C24H30N4O5S — CID 46494457

IUPACN-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)cc1
InChIInChI=1S/C24H30N4O5S/c1-28(20-5-3-2-4-6-20)34(32,33)21-13-11-19(12-14-21)23(30)26-15-17-7-9-18(10-8-17)24(31)27-16-22(25)29/h7-14,20H,2-6,15-16H2,1H3,(H2,25,29)(H,26,30)(H,27,31)
InChIKeyGOZWELWORXRJCA-UHFFFAOYSA-N
MW486.59 g/mol
LogP1.78
Rot. Bonds9

About N-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide

N-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide (PubChem CID 46494457) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide
PubChem CID46494457
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC NameN-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)cc1
InChIInChI=1S/C24H30N4O5S/c1-28(20-5-3-2-4-6-20)34(32,33)21-13-11-19(12-14-21)23(30)26-15-17-7-9-18(10-8-17)24(31)27-16-22(25)29/h7-14,20H,2-6,15-16H2,1H3,(H2,25,29)(H,26,30)(H,27,31)
InChIKeyGOZWELWORXRJCA-UHFFFAOYSA-N
XLogP1.78
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclohexyl(methyl)sulfamoyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 46485483
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-(methylamino)propyl]benzamide
CID 119432186
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26313001
4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide
CID 38371562
N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60823251
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methoxymethyl)benzamide
CID 46806930
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26906898
4-[cyclohexyl(methyl)sulfamoyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 55565647
4-[cyclohexyl(methyl)sulfamoyl]-N-cyclopentyl-N-ethylbenzamide
CID 134060936
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide (CID 46494457) is N-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide?
The InChIKey is GOZWELWORXRJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-28(20-5-3-2-4-6-20)34(32,33)21-13-11-19(12-14-21)23(30)26-15-17-7-9-18(10-8-17)24(31)27-16-22(25)29/h7-14,20H,2-6,15-16H2,1H3,(H2,25,29)(H,26,30)(H,27,31).
What are the key properties of N-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide?
N-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide has a molecular weight of 486.59 g/mol, XLogP of 1.78, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide is sourced from PubChem (CID 46494457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).