N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide

C22H29N3O3S — CID 37295302

IUPACN-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCN2CCCCCC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-18-8-4-5-9-21(18)24-29(27,28)20-12-10-19(11-13-20)22(26)23-14-17-25-15-6-2-3-7-16-25/h4-5,8-13,24H,2-3,6-7,14-17H2,1H3,(H,23,26)
InChIKeyIACMGMPHLAYVFT-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.40
Rot. Bonds7

About N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide

N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 37295302) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID37295302
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCN2CCCCCC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-18-8-4-5-9-21(18)24-29(27,28)20-12-10-19(11-13-20)22(26)23-14-17-25-15-6-2-3-7-16-25/h4-5,8-13,24H,2-3,6-7,14-17H2,1H3,(H,23,26)
InChIKeyIACMGMPHLAYVFT-UHFFFAOYSA-N
XLogP3.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylphenyl)sulfamoyl]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 17461919
5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234754
3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788
N-(2-piperidin-1-ylethyl)-4-sulfamoylbenzamide
CID 68595243
N-[2-(azepan-1-yl)ethyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 37297933
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55724828
4-[(2-methylphenyl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 26129310
N-[2-(furan-2-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26795706
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
N-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27548689
4-[(2,3-dimethylphenyl)sulfamoyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56510258

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide (CID 37295302) is N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCN2CCCCCC2)cc1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is IACMGMPHLAYVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-18-8-4-5-9-21(18)24-29(27,28)20-12-10-19(11-13-20)22(26)23-14-17-25-15-6-2-3-7-16-25/h4-5,8-13,24H,2-3,6-7,14-17H2,1H3,(H,23,26).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide?
N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 415.56 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 37295302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).