N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide

C23H35N3O4S — CID 55805978

IUPACN-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCCNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C23H35N3O4S/c1-26(20-10-6-3-7-11-20)31(29,30)21-14-12-19(13-15-21)23(28)25-17-16-24-22(27)18-8-4-2-5-9-18/h12-15,18,20H,2-11,16-17H2,1H3,(H,24,27)(H,25,28)
InChIKeySHHPDAFWOAUEFZ-UHFFFAOYSA-N
MW449.62 g/mol
LogP3.07
Rot. Bonds8

About N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide

N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide (PubChem CID 55805978) has the molecular formula C23H35N3O4S and a molecular weight of 449.62 g/mol. Its IUPAC name is N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide
PubChem CID55805978
Molecular FormulaC23H35N3O4S
Molecular Weight449.62 g/mol
Exact Mass449.23
IUPAC NameN-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCCNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C23H35N3O4S/c1-26(20-10-6-3-7-11-20)31(29,30)21-14-12-19(13-15-21)23(28)25-17-16-24-22(27)18-8-4-2-5-9-18/h12-15,18,20H,2-11,16-17H2,1H3,(H,24,27)(H,25,28)
InChIKeySHHPDAFWOAUEFZ-UHFFFAOYSA-N
XLogP3.07
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 53.07
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-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide
CID 55805923
N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
CID 119384031
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119432186
1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 43066542
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-[(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
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
4-[cyclohexyl(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 55450487

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide (CID 55805978) is N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCCNC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide?
The InChIKey is SHHPDAFWOAUEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4S/c1-26(20-10-6-3-7-11-20)31(29,30)21-14-12-19(13-15-21)23(28)25-17-16-24-22(27)18-8-4-2-5-9-18/h12-15,18,20H,2-11,16-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide?
N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide has a molecular weight of 449.62 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 55805978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).