N-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide

C13H19NO3S — CID 110771263

IUPACN-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide
SMILESCCC(C)NC(=O)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H19NO3S/c1-4-10(2)14-13(15)9-11-5-7-12(8-6-11)18(3,16)17/h5-8,10H,4,9H2,1-3H3,(H,14,15)
InChIKeyFMLNHXXJDLXURA-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.55
Rot. Bonds5

About N-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide

N-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 110771263) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide
PubChem CID110771263
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide
SMILESCCC(C)NC(=O)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H19NO3S/c1-4-10(2)14-13(15)9-11-5-7-12(8-6-11)18(3,16)17/h5-8,10H,4,9H2,1-3H3,(H,14,15)
InChIKeyFMLNHXXJDLXURA-UHFFFAOYSA-N
XLogP1.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[(4-methylsulfonylphenyl)methylamino]propanamide
CID 61066956
2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096212
N-[(4-methylsulfonylphenyl)methyl]butan-2-amine
CID 61068227
N-butyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771261
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
2-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 47191115
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(4-methylsulfonylphenyl)piperazine-1-carboxamide
CID 55695436
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133265262
N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 108993382
2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide
CID 110771330
2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]butanoic acid
CID 119223415

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide (CID 110771263) is N-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide is CCC(C)NC(=O)Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is FMLNHXXJDLXURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-4-10(2)14-13(15)9-11-5-7-12(8-6-11)18(3,16)17/h5-8,10H,4,9H2,1-3H3,(H,14,15).
What are the key properties of N-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide?
N-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 269.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 110771263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).