N-benzyl-N-cyclopropyl-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide

C25H26N2O4S — CID 38252606

IUPACN-benzyl-N-cyclopropyl-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)N(Cc3ccccc3)C3CC3)ccc2C)cc1
InChIInChI=1S/C25H26N2O4S/c1-18-8-9-20(25(28)27(22-12-13-22)17-19-6-4-3-5-7-19)16-24(18)32(29,30)26-21-10-14-23(31-2)15-11-21/h3-11,14-16,22,26H,12-13,17H2,1-2H3
InChIKeyQZGQPNNSRQQGKD-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.61
Rot. Bonds8

About N-benzyl-N-cyclopropyl-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide

N-benzyl-N-cyclopropyl-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 38252606) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID38252606
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC NameN-benzyl-N-cyclopropyl-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)N(Cc3ccccc3)C3CC3)ccc2C)cc1
InChIInChI=1S/C25H26N2O4S/c1-18-8-9-20(25(28)27(22-12-13-22)17-19-6-4-3-5-7-19)16-24(18)32(29,30)26-21-10-14-23(31-2)15-11-21/h3-11,14-16,22,26H,12-13,17H2,1-2H3
InChIKeyQZGQPNNSRQQGKD-UHFFFAOYSA-N
XLogP4.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 43017329
N-benzyl-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 4042579
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide
CID 38253884
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
N-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 55488324
N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 119507136
4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid
CID 4005118
methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
CID 9298633
4-[[cyclopropyl-[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzamide
CID 38371513
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55724690
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-benzyl-N-cyclopropyl-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide (CID 38252606) is N-benzyl-N-cyclopropyl-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide is COc1ccc(NS(=O)(=O)c2cc(C(=O)N(Cc3ccccc3)C3CC3)ccc2C)cc1.
What is the InChIKey of N-benzyl-N-cyclopropyl-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is QZGQPNNSRQQGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-18-8-9-20(25(28)27(22-12-13-22)17-19-6-4-3-5-7-19)16-24(18)32(29,30)26-21-10-14-23(31-2)15-11-21/h3-11,14-16,22,26H,12-13,17H2,1-2H3.
What are the key properties of N-benzyl-N-cyclopropyl-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
N-benzyl-N-cyclopropyl-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 450.56 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 38252606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).