3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide

C15H23BrN2O3S — CID 113146090

IUPAC3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCN(c1ccc(Br)c(C)c1)S(C)(=O)=O
InChIInChI=1S/C15H23BrN2O3S/c1-5-12(3)17-15(19)8-9-18(22(4,20)21)13-6-7-14(16)11(2)10-13/h6-7,10,12H,5,8-9H2,1-4H3,(H,17,19)
InChIKeyVXGHVQWUQILVJN-UHFFFAOYSA-N
MW391.33 g/mol
LogP2.83
Rot. Bonds7

About 3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide

3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide (PubChem CID 113146090) has the molecular formula C15H23BrN2O3S and a molecular weight of 391.33 g/mol. Its IUPAC name is 3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide
PubChem CID113146090
Molecular FormulaC15H23BrN2O3S
Molecular Weight391.33 g/mol
Exact Mass390.06
IUPAC Name3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCN(c1ccc(Br)c(C)c1)S(C)(=O)=O
InChIInChI=1S/C15H23BrN2O3S/c1-5-12(3)17-15(19)8-9-18(22(4,20)21)13-6-7-14(16)11(2)10-13/h6-7,10,12H,5,8-9H2,1-4H3,(H,17,19)
InChIKeyVXGHVQWUQILVJN-UHFFFAOYSA-N
XLogP2.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide 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

N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143863
N-butan-2-yl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143125
N-butan-2-yl-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 113145244
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113144169
N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 113145878
N-(4-bromo-3-methylphenyl)-N-(2-hydroxyethyl)methanesulfonamide
CID 70935045
(2S)-2-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 125074981
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30245380
2-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-butan-2-ylpropanamide
CID 132751844
(2R)-2-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetyl]-[(2-chlorophenyl)methyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 100554360
2-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-butan-2-ylpropanamide
CID 132751849
2-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-butan-2-ylpropanamide
CID 132742893

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide?
The IUPAC name of 3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide (CID 113146090) is 3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide?
The canonical SMILES for 3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCN(c1ccc(Br)c(C)c1)S(C)(=O)=O.
What is the InChIKey of 3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide?
The InChIKey is VXGHVQWUQILVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3S/c1-5-12(3)17-15(19)8-9-18(22(4,20)21)13-6-7-14(16)11(2)10-13/h6-7,10,12H,5,8-9H2,1-4H3,(H,17,19).
What are the key properties of 3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide?
3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide has a molecular weight of 391.33 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide is sourced from PubChem (CID 113146090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).