N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide

C18H22N2O3S — CID 92676500

IUPACN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2)c(C)c1
InChIInChI=1S/C18H22N2O3S/c1-12-8-9-17(13(2)10-12)14(3)19-18(21)15-6-5-7-16(11-15)20-24(4,22)23/h5-11,14,20H,1-4H3,(H,19,21)/t14-/m1/s1
InChIKeyNGFUUVDCSZFHRO-CQSZACIVSA-N
MW346.45 g/mol
LogP3.17
Rot. Bonds5

About N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide (PubChem CID 92676500) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide
PubChem CID92676500
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2)c(C)c1
InChIInChI=1S/C18H22N2O3S/c1-12-8-9-17(13(2)10-12)14(3)19-18(21)15-6-5-7-16(11-15)20-24(4,22)23/h5-11,14,20H,1-4H3,(H,19,21)/t14-/m1/s1
InChIKeyNGFUUVDCSZFHRO-CQSZACIVSA-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-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 92684176
3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide
CID 43016598
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 32567523
N-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 132663234
4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43915395
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 125043107
1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea
CID 45153652
3-(azepan-1-ylsulfonyl)-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 53285860
1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
CID 19675250
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 99130877
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide
CID 55837471
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide
CID 55702907

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide (CID 92676500) is N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide is Cc1ccc([C@@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2)c(C)c1.
What is the InChIKey of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide?
The InChIKey is NGFUUVDCSZFHRO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12-8-9-17(13(2)10-12)14(3)19-18(21)15-6-5-7-16(11-15)20-24(4,22)23/h5-11,14,20H,1-4H3,(H,19,21)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide?
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(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-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 92676500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).