N-cycloheptyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

C22H28N2O4S — CID 8895518

IUPACN-cycloheptyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCCCCC3)c2)cc1
InChIInChI=1S/C22H28N2O4S/c1-24(19-12-14-20(28-2)15-13-19)29(26,27)21-11-7-8-17(16-21)22(25)23-18-9-5-3-4-6-10-18/h7-8,11-16,18H,3-6,9-10H2,1-2H3,(H,23,25)
InChIKeyUEFLMQYSCTYIII-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.97
Rot. Bonds6

About N-cycloheptyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

N-cycloheptyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 8895518) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-cycloheptyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID8895518
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-cycloheptyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCCCCC3)c2)cc1
InChIInChI=1S/C22H28N2O4S/c1-24(19-12-14-20(28-2)15-13-19)29(26,27)21-11-7-8-17(16-21)22(25)23-18-9-5-3-4-6-10-18/h7-8,11-16,18H,3-6,9-10H2,1-2H3,(H,23,25)
InChIKeyUEFLMQYSCTYIII-UHFFFAOYSA-N
XLogP3.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
CID 141759425
2-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 822776
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
3-[Benzyl(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 2387099
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
4-{[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino}benzenesulfonamide
CID 2248175
3-[[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 168276560
2-(4-Methoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 1091413
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-methoxyphenyl)propanamide
CID 1317129
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2340937
5-(azepane-1-carbonyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 2431964

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-cycloheptyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (CID 8895518) is N-cycloheptyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-cycloheptyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-cycloheptyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCCCCC3)c2)cc1.
What is the InChIKey of N-cycloheptyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is UEFLMQYSCTYIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-24(19-12-14-20(28-2)15-13-19)29(26,27)21-11-7-8-17(16-21)22(25)23-18-9-5-3-4-6-10-18/h7-8,11-16,18H,3-6,9-10H2,1-2H3,(H,23,25).
What are the key properties of N-cycloheptyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
N-cycloheptyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 416.54 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 8895518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).