N-[4-(3-methoxy-4-methylsulfonylbenzoyl)phenyl]acetamide

C17H17NO5S — CID 57105559

IUPACN-[4-(3-methoxy-4-methylsulfonylbenzoyl)phenyl]acetamide
SMILESCOc1cc(C(=O)c2ccc(NC(C)=O)cc2)ccc1S(C)(=O)=O
InChIInChI=1S/C17H17NO5S/c1-11(19)18-14-7-4-12(5-8-14)17(20)13-6-9-16(24(3,21)22)15(10-13)23-2/h4-10H,1-3H3,(H,18,19)
InChIKeyKPZSLPLVUWDCBZ-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.29
Rot. Bonds5

About N-[4-(3-methoxy-4-methylsulfonylbenzoyl)phenyl]acetamide

N-[4-(3-methoxy-4-methylsulfonylbenzoyl)phenyl]acetamide (PubChem CID 57105559) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[4-(3-methoxy-4-methylsulfonylbenzoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-methoxy-4-methylsulfonylbenzoyl)phenyl]acetamide
PubChem CID57105559
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC NameN-[4-(3-methoxy-4-methylsulfonylbenzoyl)phenyl]acetamide
SMILESCOc1cc(C(=O)c2ccc(NC(C)=O)cc2)ccc1S(C)(=O)=O
InChIInChI=1S/C17H17NO5S/c1-11(19)18-14-7-4-12(5-8-14)17(20)13-6-9-16(24(3,21)22)15(10-13)23-2/h4-10H,1-3H3,(H,18,19)
InChIKeyKPZSLPLVUWDCBZ-UHFFFAOYSA-N
XLogP2.29
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(3-methoxy-4-methylsulfonylbenzoyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]acetamide
CID 22774828
2-anilino-N-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)ethylideneamino]acetamide
CID 48917207
N-[4-(4-hydroxybenzoyl)phenyl]acetamide
CID 91710939
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 2099281
N-[4-(4-iodobenzoyl)phenyl]acetamide
CID 43337938
N-[4-(3,5-difluorobenzoyl)phenyl]acetamide
CID 43337955
N-[4-(3-bromobenzoyl)phenyl]acetamide
CID 43337929
(3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanone
CID 43339877
N-[4-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-6-carbonyl]phenyl]acetamide
CID 135441253
N-[2-methoxy-4-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide
CID 55901202
2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117362849
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxy-4-methylsulfonylbenzoyl)phenyl]acetamide?
The IUPAC name of N-[4-(3-methoxy-4-methylsulfonylbenzoyl)phenyl]acetamide (CID 57105559) is N-[4-(3-methoxy-4-methylsulfonylbenzoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-methoxy-4-methylsulfonylbenzoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-methoxy-4-methylsulfonylbenzoyl)phenyl]acetamide is COc1cc(C(=O)c2ccc(NC(C)=O)cc2)ccc1S(C)(=O)=O.
What is the InChIKey of N-[4-(3-methoxy-4-methylsulfonylbenzoyl)phenyl]acetamide?
The InChIKey is KPZSLPLVUWDCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-11(19)18-14-7-4-12(5-8-14)17(20)13-6-9-16(24(3,21)22)15(10-13)23-2/h4-10H,1-3H3,(H,18,19).
What are the key properties of N-[4-(3-methoxy-4-methylsulfonylbenzoyl)phenyl]acetamide?
N-[4-(3-methoxy-4-methylsulfonylbenzoyl)phenyl]acetamide has a molecular weight of 347.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxy-4-methylsulfonylbenzoyl)phenyl]acetamide is sourced from PubChem (CID 57105559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).