4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide

C30H30N2O3S — CID 2343621

IUPAC4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N(CCc3ccccc3)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C30H30N2O3S/c1-24-12-16-28(17-13-24)31-36(34,35)29-18-14-27(15-19-29)30(33)32(22-20-25-8-4-2-5-9-25)23-21-26-10-6-3-7-11-26/h2-19,31H,20-23H2,1H3
InChIKeyKMBFJVVXHQLBKZ-UHFFFAOYSA-N
MW498.65 g/mol
LogP5.72
Rot. Bonds10

About 4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide

4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide (PubChem CID 2343621) has the molecular formula C30H30N2O3S and a molecular weight of 498.65 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide
PubChem CID2343621
Molecular FormulaC30H30N2O3S
Molecular Weight498.65 g/mol
Exact Mass498.20
IUPAC Name4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N(CCc3ccccc3)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C30H30N2O3S/c1-24-12-16-28(17-13-24)31-36(34,35)29-18-14-27(15-19-29)30(33)32(22-20-25-8-4-2-5-9-25)23-21-26-10-6-3-7-11-26/h2-19,31H,20-23H2,1H3
InChIKeyKMBFJVVXHQLBKZ-UHFFFAOYSA-N
XLogP5.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.65
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1252923
N-ethyl-N-(2-phenylethyl)-4-(phenylsulfamoyl)benzamide
CID 55587739
4-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689392
4-[(4-methylphenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 35742323
N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 120886326
N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884759
4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 109061565
N-ethyl-4-[(4-methylphenyl)sulfamoyl]-N-(2-methylprop-2-enyl)benzamide
CID 29265946
N-ethyl-N-(2-hydroxyethyl)-4-(phenylsulfamoyl)benzamide
CID 78796066
4-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbenzamide
CID 29373604
4-[(4-fluorophenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 29373554
3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid
CID 24580865

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide?
The IUPAC name of 4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide (CID 2343621) is 4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide.
What is the SMILES notation for 4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide?
The canonical SMILES for 4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(CCc3ccccc3)CCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide?
The InChIKey is KMBFJVVXHQLBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O3S/c1-24-12-16-28(17-13-24)31-36(34,35)29-18-14-27(15-19-29)30(33)32(22-20-25-8-4-2-5-9-25)23-21-26-10-6-3-7-11-26/h2-19,31H,20-23H2,1H3.
What are the key properties of 4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide?
4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide has a molecular weight of 498.65 g/mol, XLogP of 5.72, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide is sourced from PubChem (CID 2343621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).