N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3,4-dimethylbenzamide

C19H22N2O3S — CID 113093595

IUPACN-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2N(C2CC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H22N2O3S/c1-13-8-9-15(12-14(13)2)19(22)20-17-6-4-5-7-18(17)21(16-10-11-16)25(3,23)24/h4-9,12,16H,10-11H2,1-3H3,(H,20,22)
InChIKeyZPKSNCLCFFAZHD-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.48
Rot. Bonds5

About N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3,4-dimethylbenzamide

N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3,4-dimethylbenzamide (PubChem CID 113093595) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3,4-dimethylbenzamide
PubChem CID113093595
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2N(C2CC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H22N2O3S/c1-13-8-9-15(12-14(13)2)19(22)20-17-6-4-5-7-18(17)21(16-10-11-16)25(3,23)24/h4-9,12,16H,10-11H2,1-3H3,(H,20,22)
InChIKeyZPKSNCLCFFAZHD-UHFFFAOYSA-N
XLogP3.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]acetamide
CID 113093569
1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]urea
CID 113093625
N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-methoxybenzamide
CID 113093265
N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3-methylbenzenesulfonamide
CID 113093650
N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113093646
N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide
CID 113094359
1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55645237
3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068544
3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601073
N-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide
CID 35368704
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113069673

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3,4-dimethylbenzamide (CID 113093595) is N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccccc2N(C2CC2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3,4-dimethylbenzamide?
The InChIKey is ZPKSNCLCFFAZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-8-9-15(12-14(13)2)19(22)20-17-6-4-5-7-18(17)21(16-10-11-16)25(3,23)24/h4-9,12,16H,10-11H2,1-3H3,(H,20,22).
What are the key properties of N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3,4-dimethylbenzamide?
N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3,4-dimethylbenzamide has a molecular weight of 358.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 113093595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).