N-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]acetamide

C13H19BrN2O2S — CID 97352788

IUPACN-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]acetamide
SMILESC[C@@H](C[S@](C)=O)N(C)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C13H19BrN2O2S/c1-10(9-19(3)18)16(2)8-13(17)15-12-7-5-4-6-11(12)14/h4-7,10H,8-9H2,1-3H3,(H,15,17)/t10-,19-/m0/s1
InChIKeyDVMCRVCJLJGROF-OVWNDWIMSA-N
MW347.28 g/mol
LogP2.09
Rot. Bonds6

About N-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]acetamide

N-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]acetamide (PubChem CID 97352788) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]acetamide
PubChem CID97352788
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC NameN-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]acetamide
SMILESC[C@@H](C[S@](C)=O)N(C)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C13H19BrN2O2S/c1-10(9-19(3)18)16(2)8-13(17)15-12-7-5-4-6-11(12)14/h4-7,10H,8-9H2,1-3H3,(H,15,17)/t10-,19-/m0/s1
InChIKeyDVMCRVCJLJGROF-OVWNDWIMSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]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

2-[methyl(1-methylsulfinylpropan-2-yl)amino]-N-phenylacetamide
CID 75521176
N-(2,4-dimethylphenyl)-2-[methyl(1-methylsulfinylpropan-2-yl)amino]acetamide
CID 75521175
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
(2R)-N-(4-acetamidophenyl)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanamide
CID 2555298
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
3-[[2-(2-bromoanilino)-2-oxoethyl]-ethylamino]butanoic acid
CID 62827479
2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide
CID 78772998
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-propan-2-ylsulfonylpropanamide
CID 55967009
N-[2-(2-bromoanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide
CID 56538781
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide
CID 27800739

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]acetamide (CID 97352788) is N-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]acetamide is C[C@@H](C[S@](C)=O)N(C)CC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]acetamide?
The InChIKey is DVMCRVCJLJGROF-OVWNDWIMSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-10(9-19(3)18)16(2)8-13(17)15-12-7-5-4-6-11(12)14/h4-7,10H,8-9H2,1-3H3,(H,15,17)/t10-,19-/m0/s1.
What are the key properties of N-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]acetamide?
N-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]acetamide has a molecular weight of 347.28 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]acetamide is sourced from PubChem (CID 97352788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).