3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide

C18H22N2O3S — CID 41448887

IUPAC3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide
SMILESCc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C18H22N2O3S/c1-12(2)14-8-5-6-10-17(14)19-18(21)15-9-7-11-16(13(15)3)20-24(4,22)23/h5-12,20H,1-4H3,(H,19,21)
InChIKeyKVUACLQGVUKWIU-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.74
Rot. Bonds5

About 3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide

3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 41448887) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide
PubChem CID41448887
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide
SMILESCc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C18H22N2O3S/c1-12(2)14-8-5-6-10-17(14)19-18(21)15-9-7-11-16(13(15)3)20-24(4,22)23/h5-12,20H,1-4H3,(H,19,21)
InChIKeyKVUACLQGVUKWIU-UHFFFAOYSA-N
XLogP3.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide
CID 41448766
3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide
CID 41454413
2,3-dimethyl-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 110858100
4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide
CID 51179900
methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
CID 2974111
2-iodo-N-(2-propan-2-ylphenyl)benzamide
CID 615900
N-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide
CID 41448856
2-methoxy-3-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 17101838
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-methyl-3-nitrobenzamide
CID 60556544
N-[1-(4-ethoxyphenyl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide
CID 43907517
N-(2-propan-2-ylphenyl)benzamide
CID 723391
[2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate
CID 720313

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide (CID 41448887) is 3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide is Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is KVUACLQGVUKWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12(2)14-8-5-6-10-17(14)19-18(21)15-9-7-11-16(13(15)3)20-24(4,22)23/h5-12,20H,1-4H3,(H,19,21).
What are the key properties of 3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide?
3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 346.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 41448887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).