N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide

C19H24N2O3S — CID 32567523

IUPACN-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C19H24N2O3S/c1-12-6-7-13(2)17(10-12)15(4)20-19(22)16-9-8-14(3)18(11-16)21-25(5,23)24/h6-11,15,21H,1-5H3,(H,20,22)/t15-/m0/s1
InChIKeyCCJXCQBQOFWEKQ-HNNXBMFYSA-N
MW360.48 g/mol
LogP3.47
Rot. Bonds5

About N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 32567523) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID32567523
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C19H24N2O3S/c1-12-6-7-13(2)17(10-12)15(4)20-19(22)16-9-8-14(3)18(11-16)21-25(5,23)24/h6-11,15,21H,1-5H3,(H,20,22)/t15-/m0/s1
InChIKeyCCJXCQBQOFWEKQ-HNNXBMFYSA-N
XLogP3.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 36614257
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 92684176
N-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 132656308
4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide
CID 43713071
2-[[3-(methanesulfonamido)-4-methylbenzoyl]amino]propanoic acid
CID 119225437
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 92676500
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 26371719
2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 30399426
3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217988

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide (CID 32567523) is N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide is Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is CCJXCQBQOFWEKQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-12-6-7-13(2)17(10-12)15(4)20-19(22)16-9-8-14(3)18(11-16)21-25(5,23)24/h6-11,15,21H,1-5H3,(H,20,22)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide?
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 360.48 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 32567523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).