N-benzyl-N-cyclopropyl-2-methyl-4-methylsulfonylbenzamide

C19H21NO3S — CID 171676502

IUPACN-benzyl-N-cyclopropyl-2-methyl-4-methylsulfonylbenzamide
SMILESCc1cc(S(C)(=O)=O)ccc1C(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C19H21NO3S/c1-14-12-17(24(2,22)23)10-11-18(14)19(21)20(16-8-9-16)13-15-6-4-3-5-7-15/h3-7,10-12,16H,8-9,13H2,1-2H3
InChIKeyJUFUEIPPZMQZQV-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.20
Rot. Bonds5

About N-benzyl-N-cyclopropyl-2-methyl-4-methylsulfonylbenzamide

N-benzyl-N-cyclopropyl-2-methyl-4-methylsulfonylbenzamide (PubChem CID 171676502) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-2-methyl-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-2-methyl-4-methylsulfonylbenzamide
PubChem CID171676502
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-benzyl-N-cyclopropyl-2-methyl-4-methylsulfonylbenzamide
SMILESCc1cc(S(C)(=O)=O)ccc1C(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C19H21NO3S/c1-14-12-17(24(2,22)23)10-11-18(14)19(21)20(16-8-9-16)13-15-6-4-3-5-7-15/h3-7,10-12,16H,8-9,13H2,1-2H3
InChIKeyJUFUEIPPZMQZQV-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

N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
CID 32589766
N-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide
CID 63999824
N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide
CID 38253884
4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide
CID 33351444
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-methylbenzamide
CID 40561453
bis(2-methyl-4-methylsulfonylphenyl)methanone
CID 141299848
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 86828299
N-benzyl-N-cyclopropyl-2,3-difluorobenzamide
CID 62661017
N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095899
N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide
CID 102850934
N-benzyl-N-cyclopropyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 38253005
N-benzyl-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 31844923

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-2-methyl-4-methylsulfonylbenzamide?
The IUPAC name of N-benzyl-N-cyclopropyl-2-methyl-4-methylsulfonylbenzamide (CID 171676502) is N-benzyl-N-cyclopropyl-2-methyl-4-methylsulfonylbenzamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-2-methyl-4-methylsulfonylbenzamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-2-methyl-4-methylsulfonylbenzamide is Cc1cc(S(C)(=O)=O)ccc1C(=O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-N-cyclopropyl-2-methyl-4-methylsulfonylbenzamide?
The InChIKey is JUFUEIPPZMQZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-14-12-17(24(2,22)23)10-11-18(14)19(21)20(16-8-9-16)13-15-6-4-3-5-7-15/h3-7,10-12,16H,8-9,13H2,1-2H3.
What are the key properties of N-benzyl-N-cyclopropyl-2-methyl-4-methylsulfonylbenzamide?
N-benzyl-N-cyclopropyl-2-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-benzyl-N-cyclopropyl-2-methyl-4-methylsulfonylbenzamide is sourced from PubChem (CID 171676502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).