2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide

C14H22N2O3S — CID 43906894

IUPAC2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-12(9-10-13-7-5-4-6-8-13)15-14(17)11-16(2)20(3,18)19/h4-8,12H,9-11H2,1-3H3,(H,15,17)
InChIKeyAWGQUIALIPNIKK-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.02
Rot. Bonds7

About 2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide

2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 43906894) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide
PubChem CID43906894
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-12(9-10-13-7-5-4-6-8-13)15-14(17)11-16(2)20(3,18)19/h4-8,12H,9-11H2,1-3H3,(H,15,17)
InChIKeyAWGQUIALIPNIKK-UHFFFAOYSA-N
XLogP1.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2695427
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 27209685
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(4-phenylbutan-2-yl)acetamide
CID 132661819
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 40976060
2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 30464380
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-5-phenylpentanoic acid
CID 120547199
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 9040145
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 92517130
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide (CID 43906894) is 2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)CN(C)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is AWGQUIALIPNIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-12(9-10-13-7-5-4-6-8-13)15-14(17)11-16(2)20(3,18)19/h4-8,12H,9-11H2,1-3H3,(H,15,17).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide?
2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 298.41 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 43906894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).