N-[3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide

C19H21BrN2O2S — CID 55707973

IUPACN-[3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O2S/c1-12(2)19(24)21-15-7-4-13(3)17(10-15)22-18(23)11-25-16-8-5-14(20)6-9-16/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyYWOJBLQUUWPQGM-UHFFFAOYSA-N
MW421.36 g/mol
LogP5.08
Rot. Bonds6

About N-[3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide

N-[3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide (PubChem CID 55707973) has the molecular formula C19H21BrN2O2S and a molecular weight of 421.36 g/mol. Its IUPAC name is N-[3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide
PubChem CID55707973
Molecular FormulaC19H21BrN2O2S
Molecular Weight421.36 g/mol
Exact Mass420.05
IUPAC NameN-[3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O2S/c1-12(2)19(24)21-15-7-4-13(3)17(10-15)22-18(23)11-25-16-8-5-14(20)6-9-16/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyYWOJBLQUUWPQGM-UHFFFAOYSA-N
XLogP5.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.36
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide 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-[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55707977
N-[3-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55720223
4-bromo-N-[3-[2-methyl-5-(2-methylpropanoylamino)anilino]-3-oxopropyl]benzamide
CID 46485893
N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide
CID 43377361
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
CID 82034485
2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 1278156
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 119725790
N-[5-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-2-methylphenyl]-2-methylpropanamide
CID 131943184
4-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide
CID 55708109
2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
CID 7924484
N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528206
2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide
CID 47063867

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide (CID 55707973) is N-[3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)CSc1ccc(Br)cc1.
What is the InChIKey of N-[3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide?
The InChIKey is YWOJBLQUUWPQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2S/c1-12(2)19(24)21-15-7-4-13(3)17(10-15)22-18(23)11-25-16-8-5-14(20)6-9-16/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide?
N-[3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide has a molecular weight of 421.36 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 55707973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).