N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide

C19H22N2O3S — CID 989117

IUPACN-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
SMILESCc1ccccc1CN(c1ccc(C(=O)NC2CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H22N2O3S/c1-14-5-3-4-6-16(14)13-21(25(2,23)24)18-11-7-15(8-12-18)19(22)20-17-9-10-17/h3-8,11-12,17H,9-10,13H2,1-2H3,(H,20,22)
InChIKeyPMTPCBDNRSVJAV-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.85
Rot. Bonds6

About N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide

N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide (PubChem CID 989117) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
PubChem CID989117
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
SMILESCc1ccccc1CN(c1ccc(C(=O)NC2CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H22N2O3S/c1-14-5-3-4-6-16(14)13-21(25(2,23)24)18-11-7-15(8-12-18)19(22)20-17-9-10-17/h3-8,11-12,17H,9-10,13H2,1-2H3,(H,20,22)
InChIKeyPMTPCBDNRSVJAV-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282659
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
CID 56700074
N-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126117559
N-(cyclododecylideneamino)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126119637
N-(4-methoxyphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1315945
4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 1210836
4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
CID 126134361
N-cyclopropyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 53287051
N,N-dibenzyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126119642
N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 17201100
N-[(4-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126184390
N-[1-(2,4-dimethylphenyl)ethyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 43906009

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide?
The IUPAC name of N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide (CID 989117) is N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide is Cc1ccccc1CN(c1ccc(C(=O)NC2CC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide?
The InChIKey is PMTPCBDNRSVJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-5-3-4-6-16(14)13-21(25(2,23)24)18-11-7-15(8-12-18)19(22)20-17-9-10-17/h3-8,11-12,17H,9-10,13H2,1-2H3,(H,20,22).
What are the key properties of N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide?
N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide has a molecular weight of 358.46 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide is sourced from PubChem (CID 989117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).