2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide

C20H25N3O4S — CID 92643139

IUPAC2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1
InChIInChI=1S/C20H25N3O4S/c1-4-28(26,27)23-16-11-9-15(10-12-16)19(24)22-18-8-6-5-7-17(18)20(25)21-13-14(2)3/h5-12,14,23H,4,13H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyBSJMKYPQHHTPQR-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.09
Rot. Bonds8

About 2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide

2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 92643139) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID92643139
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1
InChIInChI=1S/C20H25N3O4S/c1-4-28(26,27)23-16-11-9-15(10-12-16)19(24)22-18-8-6-5-7-17(18)20(25)21-13-14(2)3/h5-12,14,23H,4,13H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyBSJMKYPQHHTPQR-UHFFFAOYSA-N
XLogP3.09
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide
CID 47111066
2-benzamido-N-[4-(ethylsulfonylamino)phenyl]benzamide
CID 55960852
2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 1318988
2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 92664179
2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 4143005
N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide
CID 47104367
[4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1369781
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 1317789
N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374842
ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate
CID 109044011
N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide
CID 2968059
4-(ethylsulfonylamino)-N-(2-phenylpropyl)benzamide
CID 133163901

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide (CID 92643139) is 2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide is CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1.
What is the InChIKey of 2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is BSJMKYPQHHTPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-4-28(26,27)23-16-11-9-15(10-12-16)19(24)22-18-8-6-5-7-17(18)20(25)21-13-14(2)3/h5-12,14,23H,4,13H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide?
2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 403.50 g/mol, XLogP of 3.09, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 92643139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).