N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

C16H25NO3S — CID 110771442

IUPACN-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)CCNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C16H25NO3S/c1-12(2)9-10-17-16(18)11-14-5-7-15(8-6-14)21(19,20)13(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,17,18)
InChIKeySPQSIAVHZSZMGB-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.57
Rot. Bonds7

About N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 110771442) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID110771442
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)CCNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C16H25NO3S/c1-12(2)9-10-17-16(18)11-14-5-7-15(8-6-14)21(19,20)13(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,17,18)
InChIKeySPQSIAVHZSZMGB-UHFFFAOYSA-N
XLogP2.57
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(furan-2-yl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 90523787
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 90524116
2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110771435
N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide
CID 60651835
N-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771426
2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
CID 112995172
N-[2-(oxan-4-ylsulfanyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 121152792
N-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 111428861
N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838362
propan-2-yl 2-(4-propan-2-ylsulfonylphenyl)acetate
CID 82550592
N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838380
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122293627

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 110771442) is N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)CCNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is SPQSIAVHZSZMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-12(2)9-10-17-16(18)11-14-5-7-15(8-6-14)21(19,20)13(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,17,18).
What are the key properties of N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 311.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 110771442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).