3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide

C19H24N2O3S — CID 113141895

IUPAC3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
SMILESCc1ccc(N(CCC(=O)NC(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-15-9-11-18(12-10-15)21(25(3,23)24)14-13-19(22)20-16(2)17-7-5-4-6-8-17/h4-12,16H,13-14H2,1-3H3,(H,20,22)
InChIKeyWREUQFSIOMWVQW-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.03
Rot. Bonds7

About 3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide

3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide (PubChem CID 113141895) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
PubChem CID113141895
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
SMILESCc1ccc(N(CCC(=O)NC(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-15-9-11-18(12-10-15)21(25(3,23)24)14-13-19(22)20-16(2)17-7-5-4-6-8-17/h4-12,16H,13-14H2,1-3H3,(H,20,22)
InChIKeyWREUQFSIOMWVQW-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]butanamide
CID 9172688
3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
CID 113143785
4-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 99131677
4-(3-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]butanamide
CID 9172594
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
4-(3-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 99131737
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide
CID 21173577
(2R)-2-[3-[N-(benzenesulfonyl)-4-methylanilino]propanoylamino]propanoic acid
CID 119243865
2-[3-[N-(benzenesulfonyl)-4-methylanilino]propanoylamino]propanoic acid
CID 119225111
4-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53285377
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2262069
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2271201

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide (CID 113141895) is 3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide is Cc1ccc(N(CCC(=O)NC(C)c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide?
The InChIKey is WREUQFSIOMWVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15-9-11-18(12-10-15)21(25(3,23)24)14-13-19(22)20-16(2)17-7-5-4-6-8-17/h4-12,16H,13-14H2,1-3H3,(H,20,22).
What are the key properties of 3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide?
3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide has a molecular weight of 360.48 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 113141895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).