N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide

C18H21N3O4S — CID 42560660

IUPACN-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H21N3O4S/c1-14(22)19-16-9-6-10-17(11-16)20-18(23)13-21(26(2,24)25)12-15-7-4-3-5-8-15/h3-11H,12-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyFJDMTORQYAXFGW-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.05
Rot. Bonds7

About N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide

N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide (PubChem CID 42560660) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide
PubChem CID42560660
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H21N3O4S/c1-14(22)19-16-9-6-10-17(11-16)20-18(23)13-21(26(2,24)25)12-15-7-4-3-5-8-15/h3-11H,12-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyFJDMTORQYAXFGW-UHFFFAOYSA-N
XLogP2.05
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide
CID 99621516
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 838547
N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138717
2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide
CID 1315450
2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113150464
N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151319
2-[benzyl(methylsulfonyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100799942
N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151312
2-[benzyl(methylsulfonyl)amino]acetyl chloride
CID 50894323
N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151684
3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide
CID 113140070

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide (CID 42560660) is N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide is CC(=O)Nc1cccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide?
The InChIKey is FJDMTORQYAXFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-14(22)19-16-9-6-10-17(11-16)20-18(23)13-21(26(2,24)25)12-15-7-4-3-5-8-15/h3-11H,12-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide?
N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide has a molecular weight of 375.45 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 42560660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).