N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

C16H17BrN2O3S — CID 133210950

IUPACN-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCN(C(C(=O)Nc1ccc(Br)cc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H17BrN2O3S/c1-19(23(2,21)22)15(12-6-4-3-5-7-12)16(20)18-14-10-8-13(17)9-11-14/h3-11,15H,1-2H3,(H,18,20)
InChIKeyUGLHAZIMJDHCOH-UHFFFAOYSA-N
MW397.29 g/mol
LogP3.02
Rot. Bonds5

About N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (PubChem CID 133210950) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
PubChem CID133210950
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC NameN-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCN(C(C(=O)Nc1ccc(Br)cc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H17BrN2O3S/c1-19(23(2,21)22)15(12-6-4-3-5-7-12)16(20)18-14-10-8-13(17)9-11-14/h3-11,15H,1-2H3,(H,18,20)
InChIKeyUGLHAZIMJDHCOH-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125060901
N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889
(2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125054387
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 133166793
N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133184237
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide
CID 133187295
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 125060490
(2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide
CID 125054821
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(2-phenylphenyl)acetamide
CID 125058384
2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide
CID 133161127
N-(3-ethoxyphenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133184977
(2S)-N-(4-bromophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 7012255

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (CID 133210950) is N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is CN(C(C(=O)Nc1ccc(Br)cc1)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The InChIKey is UGLHAZIMJDHCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-19(23(2,21)22)15(12-6-4-3-5-7-12)16(20)18-14-10-8-13(17)9-11-14/h3-11,15H,1-2H3,(H,18,20).
What are the key properties of N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide has a molecular weight of 397.29 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is sourced from PubChem (CID 133210950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).