4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide

C24H29N3O3S — CID 27645778

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H29N3O3S/c1-27(20-7-3-2-4-8-20)31(29,30)21-13-11-18(12-14-21)24(28)25-16-15-19-17-26-23-10-6-5-9-22(19)23/h5-6,9-14,17,20,26H,2-4,7-8,15-16H2,1H3,(H,25,28)
InChIKeyJAFNXGZHXVYQKK-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.09
Rot. Bonds7

About 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide

4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 27645778) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID27645778
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H29N3O3S/c1-27(20-7-3-2-4-8-20)31(29,30)21-13-11-18(12-14-21)24(28)25-16-15-19-17-26-23-10-6-5-9-22(19)23/h5-6,9-14,17,20,26H,2-4,7-8,15-16H2,1H3,(H,25,28)
InChIKeyJAFNXGZHXVYQKK-UHFFFAOYSA-N
XLogP4.09
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645316
(2S)-2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 45339901
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 27644813
N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
CID 119384031
6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159738
3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide
CID 110295882
6-(cyclohexylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109152401
N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 55805978
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26458905
N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 1272760
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044889

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 27645778) is 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is JAFNXGZHXVYQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-27(20-7-3-2-4-8-20)31(29,30)21-13-11-18(12-14-21)24(28)25-16-15-19-17-26-23-10-6-5-9-22(19)23/h5-6,9-14,17,20,26H,2-4,7-8,15-16H2,1H3,(H,25,28).
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 439.58 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 27645778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).