N-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide

C14H20N2O4S — CID 113147787

IUPACN-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(C(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C14H20N2O4S/c1-10(2)16(21(4,19)20)9-14(18)15-13-7-5-6-12(8-13)11(3)17/h5-8,10H,9H2,1-4H3,(H,15,18)
InChIKeyTXXKYKHUEWKFRQ-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.50
Rot. Bonds6

About N-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide

N-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide (PubChem CID 113147787) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
PubChem CID113147787
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(C(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C14H20N2O4S/c1-10(2)16(21(4,19)20)9-14(18)15-13-7-5-6-12(8-13)11(3)17/h5-8,10H,9H2,1-4H3,(H,15,18)
InChIKeyTXXKYKHUEWKFRQ-UHFFFAOYSA-N
XLogP1.50
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-[butan-2-yl(methylsulfonyl)amino]acetamide
CID 113148772
N-(3,4-dimethylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147743
N-(3-acetylphenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334507
methyl 3-[3-[methylsulfonyl(propan-2-yl)amino]propanoylamino]benzoate
CID 113136192
N-(3-acetylphenyl)propanamide
CID 903063
N-(3-acetylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048960
N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide
CID 1314993
N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 1249861
N-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666921
N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113157714
N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 126032035
N-(3-acetylphenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686695

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide (CID 113147787) is N-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide is CC(=O)c1cccc(NC(=O)CN(C(C)C)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
The InChIKey is TXXKYKHUEWKFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10(2)16(21(4,19)20)9-14(18)15-13-7-5-6-12(8-13)11(3)17/h5-8,10H,9H2,1-4H3,(H,15,18).
What are the key properties of N-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
N-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide has a molecular weight of 312.39 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 113147787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).