N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide

C18H22N2O3S — CID 92684176

IUPACN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
SMILESCc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C18H22N2O3S/c1-12-5-10-17(13(2)11-12)14(3)19-18(21)15-6-8-16(9-7-15)20-24(4,22)23/h5-11,14,20H,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeyBPRVIQMJXVTRTB-AWEZNQCLSA-N
MW346.45 g/mol
LogP3.17
Rot. Bonds5

About N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide

N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide (PubChem CID 92684176) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
PubChem CID92684176
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
SMILESCc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C18H22N2O3S/c1-12-5-10-17(13(2)11-12)14(3)19-18(21)15-6-8-16(9-7-15)20-24(4,22)23/h5-11,14,20H,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeyBPRVIQMJXVTRTB-AWEZNQCLSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 92676500
4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 42120084
4-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 47018462
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 32567523
4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43915395
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 99130877
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 93487088
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide
CID 94843664
N-[1-(2,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770080
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 94016012
3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide
CID 81457779
N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide
CID 132656310

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide (CID 92684176) is N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide is Cc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)c(C)c1.
What is the InChIKey of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide?
The InChIKey is BPRVIQMJXVTRTB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12-5-10-17(13(2)11-12)14(3)19-18(21)15-6-8-16(9-7-15)20-24(4,22)23/h5-11,14,20H,1-4H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide?
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide has a molecular weight of 346.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 92684176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).