methyl 4-methyl-3-[(2-propan-2-ylsulfanylbenzoyl)amino]benzoate

C19H21NO3S — CID 9173341

IUPACmethyl 4-methyl-3-[(2-propan-2-ylsulfanylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2ccccc2SC(C)C)c1
InChIInChI=1S/C19H21NO3S/c1-12(2)24-17-8-6-5-7-15(17)18(21)20-16-11-14(19(22)23-4)10-9-13(16)3/h5-12H,1-4H3,(H,20,21)
InChIKeyWCHWACIKDWOKRF-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.53
Rot. Bonds5

About methyl 4-methyl-3-[(2-propan-2-ylsulfanylbenzoyl)amino]benzoate

methyl 4-methyl-3-[(2-propan-2-ylsulfanylbenzoyl)amino]benzoate (PubChem CID 9173341) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is methyl 4-methyl-3-[(2-propan-2-ylsulfanylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(2-propan-2-ylsulfanylbenzoyl)amino]benzoate
PubChem CID9173341
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Namemethyl 4-methyl-3-[(2-propan-2-ylsulfanylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2ccccc2SC(C)C)c1
InChIInChI=1S/C19H21NO3S/c1-12(2)24-17-8-6-5-7-15(17)18(21)20-16-11-14(19(22)23-4)10-9-13(16)3/h5-12H,1-4H3,(H,20,21)
InChIKeyWCHWACIKDWOKRF-UHFFFAOYSA-N
XLogP4.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-3-[(2-propan-2-ylsulfanylbenzoyl)amino]benzoate 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

methyl 4-methyl-3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]benzoate
CID 55433637
methyl 4-methyl-3-[(2-nitrobenzoyl)amino]benzoate
CID 7748739
N-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide
CID 9179609
methyl 4-methyl-3-[[(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]benzoate
CID 9378144
methyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate
CID 7920475
methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 32642709
methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-methylbenzoate
CID 106852729
methyl 3-(methoxycarbonylamino)-4-methylbenzoate
CID 17172948
methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate
CID 9439805
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
methyl 3-[[(2S)-2-chloropropanoyl]amino]-4-methylbenzoate
CID 93262404
methyl 4-methyl-3-(propan-2-ylcarbamoylamino)benzoate
CID 47173546

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(2-propan-2-ylsulfanylbenzoyl)amino]benzoate?
The IUPAC name of methyl 4-methyl-3-[(2-propan-2-ylsulfanylbenzoyl)amino]benzoate (CID 9173341) is methyl 4-methyl-3-[(2-propan-2-ylsulfanylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[(2-propan-2-ylsulfanylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-methyl-3-[(2-propan-2-ylsulfanylbenzoyl)amino]benzoate is COC(=O)c1ccc(C)c(NC(=O)c2ccccc2SC(C)C)c1.
What is the InChIKey of methyl 4-methyl-3-[(2-propan-2-ylsulfanylbenzoyl)amino]benzoate?
The InChIKey is WCHWACIKDWOKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-12(2)24-17-8-6-5-7-15(17)18(21)20-16-11-14(19(22)23-4)10-9-13(16)3/h5-12H,1-4H3,(H,20,21).
What are the key properties of methyl 4-methyl-3-[(2-propan-2-ylsulfanylbenzoyl)amino]benzoate?
methyl 4-methyl-3-[(2-propan-2-ylsulfanylbenzoyl)amino]benzoate has a molecular weight of 343.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(2-propan-2-ylsulfanylbenzoyl)amino]benzoate is sourced from PubChem (CID 9173341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).