N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide

C16H17NO3S — CID 166180691

IUPACN-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C16H17NO3S/c1-12(18)17-16(13-7-4-3-5-8-13)14-9-6-10-15(11-14)21(2,19)20/h3-11,16H,1-2H3,(H,17,18)
InChIKeyHALDYESKHWVAGA-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.32
Rot. Bonds4

About N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide

N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide (PubChem CID 166180691) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound NameN-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide
PubChem CID166180691
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C16H17NO3S/c1-12(18)17-16(13-7-4-3-5-8-13)14-9-6-10-15(11-14)21(2,19)20/h3-11,16H,1-2H3,(H,17,18)
InChIKeyHALDYESKHWVAGA-UHFFFAOYSA-N
XLogP2.32
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride
CID 119796978
2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride
CID 119796976
4-amino-3-methoxy-N-[(3-methylsulfonylphenyl)-phenylmethyl]butanamide;hydrochloride
CID 120592927
N-benzhydryl-2-methyl-5-methylsulfonylbenzamide
CID 27254371
N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]-2-(methylamino)acetamide
CID 119797041
3-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]propanamide
CID 119331161
3-amino-3-(3-methylsulfonylphenyl)propanoic acid
CID 117359940
[acetyloxy-(3-methylsulfonylphenyl)methyl] acetate
CID 121008385
4-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]pentanamide
CID 120563127
1-(3-methylsulfonylphenyl)-2-phenylethanol
CID 114976498
N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 26177688
N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119797007

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide?
The IUPAC name of N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide (CID 166180691) is N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide is CC(=O)NC(c1ccccc1)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide?
The InChIKey is HALDYESKHWVAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-12(18)17-16(13-7-4-3-5-8-13)14-9-6-10-15(11-14)21(2,19)20/h3-11,16H,1-2H3,(H,17,18).
What are the key properties of N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide?
N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide has a molecular weight of 303.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 166180691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).