N-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide

C23H31N3O3S — CID 2501045

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3(N(C)C)CCCCC3)c2)cc1
InChIInChI=1S/C23H31N3O3S/c1-18-10-12-20(13-11-18)25-30(28,29)21-9-7-8-19(16-21)22(27)24-17-23(26(2)3)14-5-4-6-15-23/h7-13,16,25H,4-6,14-15,17H2,1-3H3,(H,24,27)
InChIKeyIYIHKGOIBVSWMU-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.79
Rot. Bonds7

About N-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 2501045) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID2501045
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3(N(C)C)CCCCC3)c2)cc1
InChIInChI=1S/C23H31N3O3S/c1-18-10-12-20(13-11-18)25-30(28,29)21-9-7-8-19(16-21)22(27)24-17-23(26(2)3)14-5-4-6-15-23/h7-13,16,25H,4-6,14-15,17H2,1-3H3,(H,24,27)
InChIKeyIYIHKGOIBVSWMU-UHFFFAOYSA-N
XLogP3.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 47007180
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 55735491
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 24816551
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25391329
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
CID 16625894
N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119628934
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119235246
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 120943382
3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide
CID 55948380

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 2501045) is N-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3(N(C)C)CCCCC3)c2)cc1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is IYIHKGOIBVSWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-18-10-12-20(13-11-18)25-30(28,29)21-9-7-8-19(16-21)22(27)24-17-23(26(2)3)14-5-4-6-15-23/h7-13,16,25H,4-6,14-15,17H2,1-3H3,(H,24,27).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 429.59 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2501045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).