N-[4-(2-methylpropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide

C19H22N2O4S — CID 87026481

IUPACN-[4-(2-methylpropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide
SMILESCC(C)CNC(=O)c1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-13(2)12-20-18(22)14-8-10-15(11-9-14)21-19(23)16-6-4-5-7-17(16)26(3,24)25/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyAWDDNPSSEDEQLJ-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.73
Rot. Bonds6

About N-[4-(2-methylpropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide

N-[4-(2-methylpropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide (PubChem CID 87026481) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[4-(2-methylpropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(2-methylpropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide
PubChem CID87026481
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[4-(2-methylpropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide
SMILESCC(C)CNC(=O)c1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-13(2)12-20-18(22)14-8-10-15(11-9-14)21-19(23)16-6-4-5-7-17(16)26(3,24)25/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyAWDDNPSSEDEQLJ-UHFFFAOYSA-N
XLogP2.73
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate
CID 7267042
N-(4-acetamidophenyl)-2-methylsulfonylbenzamide
CID 8701377
N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide
CID 18132726
4-(carbamoylamino)-N-(2-methylpropyl)benzamide
CID 47106060
2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 92643139
N-(3-acetylphenyl)-2-methylsulfonylbenzamide
CID 2522636
2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide
CID 9455909
[2-(2-methylpropylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 18080442
N-(3,5-dichlorophenyl)-2-methylsulfonylbenzamide
CID 7565546
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
[4-(phenylcarbamoyl)phenyl]methyl 2-methylsulfonylbenzoate
CID 7724467
2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 1318988

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[4-(2-methylpropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide (CID 87026481) is N-[4-(2-methylpropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[4-(2-methylpropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[4-(2-methylpropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide is CC(C)CNC(=O)c1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(2-methylpropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide?
The InChIKey is AWDDNPSSEDEQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13(2)12-20-18(22)14-8-10-15(11-9-14)21-19(23)16-6-4-5-7-17(16)26(3,24)25/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-(2-methylpropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide?
N-[4-(2-methylpropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide has a molecular weight of 374.46 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 87026481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).