N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide

C19H21NO3S — CID 32589766

IUPACN-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
SMILESCc1ccc(CN(C(=O)c2ccc(S(C)(=O)=O)cc2)C2CC2)cc1
InChIInChI=1S/C19H21NO3S/c1-14-3-5-15(6-4-14)13-20(17-9-10-17)19(21)16-7-11-18(12-8-16)24(2,22)23/h3-8,11-12,17H,9-10,13H2,1-2H3
InChIKeyBNYSIYYRORNGRF-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.20
Rot. Bonds5

About N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide

N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide (PubChem CID 32589766) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
PubChem CID32589766
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
SMILESCc1ccc(CN(C(=O)c2ccc(S(C)(=O)=O)cc2)C2CC2)cc1
InChIInChI=1S/C19H21NO3S/c1-14-3-5-15(6-4-14)13-20(17-9-10-17)19(21)16-7-11-18(12-8-16)24(2,22)23/h3-8,11-12,17H,9-10,13H2,1-2H3
InChIKeyBNYSIYYRORNGRF-UHFFFAOYSA-N
XLogP3.20
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide
CID 33351444
N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32589817
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 47009631
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
N-(2-chloroethyl)-N-cyclopropyl-4-methylsulfonylbenzamide
CID 63394709
N-benzyl-N-cyclopropyl-2-methyl-4-methylsulfonylbenzamide
CID 171676502
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55589101
N-cyclopropyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32590195
N-cyclopropyl-4-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 9298439
4-acetyl-N-cyclopropyl-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 32589793
4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
CID 37154016
N-(2-chloroethyl)-N-cyclopentyl-4-methylsulfonylbenzamide
CID 63391222

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide (CID 32589766) is N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide is Cc1ccc(CN(C(=O)c2ccc(S(C)(=O)=O)cc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide?
The InChIKey is BNYSIYYRORNGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-14-3-5-15(6-4-14)13-20(17-9-10-17)19(21)16-7-11-18(12-8-16)24(2,22)23/h3-8,11-12,17H,9-10,13H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide?
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide has a molecular weight of 343.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 32589766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).