N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide

C19H24N2O3S — CID 113139129

IUPACN-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
SMILESCc1ccccc1NC(=O)CCN(C(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-15-9-7-8-12-18(15)20-19(22)13-14-21(25(3,23)24)16(2)17-10-5-4-6-11-17/h4-12,16H,13-14H2,1-3H3,(H,20,22)
InChIKeyVEPHKWDLQCSGBL-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.35
Rot. Bonds7

About N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide

N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide (PubChem CID 113139129) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
PubChem CID113139129
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
SMILESCc1ccccc1NC(=O)CCN(C(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-15-9-7-8-12-18(15)20-19(22)13-14-21(25(3,23)24)16(2)17-10-5-4-6-11-17/h4-12,16H,13-14H2,1-3H3,(H,20,22)
InChIKeyVEPHKWDLQCSGBL-UHFFFAOYSA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methylphenyl)propanamide
CID 113141163
N-(3,4-difluorophenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
CID 113139177
N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138799
N-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150897
4-hydroxy-N-(2-methylphenyl)pentanamide
CID 79017195
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008
3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113118985
N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
CID 113139093
2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113150910
3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113143230
3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide
CID 113137107
N-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150856

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide?
The IUPAC name of N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide (CID 113139129) is N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide.
What is the SMILES notation for N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide?
The canonical SMILES for N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide is Cc1ccccc1NC(=O)CCN(C(C)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide?
The InChIKey is VEPHKWDLQCSGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15-9-7-8-12-18(15)20-19(22)13-14-21(25(3,23)24)16(2)17-10-5-4-6-11-17/h4-12,16H,13-14H2,1-3H3,(H,20,22).
What are the key properties of N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide?
N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide has a molecular weight of 360.48 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide is sourced from PubChem (CID 113139129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).