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

C16H17BrN2O3S — CID 1021180

IUPAC2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)Cc1ccccc1
InChIInChI=1S/C16H17BrN2O3S/c1-23(21,22)19(11-13-6-3-2-4-7-13)12-16(20)18-15-9-5-8-14(17)10-15/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyUPDUBWVPPWAMRR-UHFFFAOYSA-N
MW397.29 g/mol
LogP2.85
Rot. Bonds6

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

2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide (PubChem CID 1021180) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
PubChem CID1021180
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)Cc1ccccc1
InChIInChI=1S/C16H17BrN2O3S/c1-23(21,22)19(11-13-6-3-2-4-7-13)12-16(20)18-15-9-5-8-14(17)10-15/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyUPDUBWVPPWAMRR-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide
CID 42560660
N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147615
2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide
CID 99621516
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 838547
2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide
CID 1315450
2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113150464
N-(3-bromophenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371728
N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151319
N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138717
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 1329355
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-bromophenyl)acetamide
CID 30128918
2-[benzyl(methylsulfonyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100799942

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide (CID 1021180) is 2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide?
The InChIKey is UPDUBWVPPWAMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-23(21,22)19(11-13-6-3-2-4-7-13)12-16(20)18-15-9-5-8-14(17)10-15/h2-10H,11-12H2,1H3,(H,18,20).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide?
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide has a molecular weight of 397.29 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 1021180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).