methyl 4-methyl-3-[(3-methyl-1-benzothiophene-2-carbonyl)amino]benzoate

C19H17NO3S — CID 8565364

IUPACmethyl 4-methyl-3-[(3-methyl-1-benzothiophene-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2sc3ccccc3c2C)c1
InChIInChI=1S/C19H17NO3S/c1-11-8-9-13(19(22)23-3)10-15(11)20-18(21)17-12(2)14-6-4-5-7-16(14)24-17/h4-10H,1-3H3,(H,20,21)
InChIKeyNVVMQUNJEJZTJD-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.56
Rot. Bonds3

About methyl 4-methyl-3-[(3-methyl-1-benzothiophene-2-carbonyl)amino]benzoate

methyl 4-methyl-3-[(3-methyl-1-benzothiophene-2-carbonyl)amino]benzoate (PubChem CID 8565364) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is methyl 4-methyl-3-[(3-methyl-1-benzothiophene-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(3-methyl-1-benzothiophene-2-carbonyl)amino]benzoate
PubChem CID8565364
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Namemethyl 4-methyl-3-[(3-methyl-1-benzothiophene-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2sc3ccccc3c2C)c1
InChIInChI=1S/C19H17NO3S/c1-11-8-9-13(19(22)23-3)10-15(11)20-18(21)17-12(2)14-6-4-5-7-16(14)24-17/h4-10H,1-3H3,(H,20,21)
InChIKeyNVVMQUNJEJZTJD-UHFFFAOYSA-N
XLogP4.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]-4-methylbenzoate
CID 2225358
methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate
CID 967197
methyl 3-[(3,4-dimethylbenzoyl)amino]-1-benzothiophene-2-carboxylate
CID 3388604
methyl 4-methyl-3-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate
CID 17488798
4-methyl-3-[[3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carbonyl]amino]benzoic acid
CID 110500716
methyl 3-(methoxycarbonylamino)-4-methylbenzoate
CID 17172948
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate
CID 9439805
N-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 1348159
methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(3-methyl-1-benzothiophene-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-methyl-3-[(3-methyl-1-benzothiophene-2-carbonyl)amino]benzoate (CID 8565364) is methyl 4-methyl-3-[(3-methyl-1-benzothiophene-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[(3-methyl-1-benzothiophene-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-methyl-3-[(3-methyl-1-benzothiophene-2-carbonyl)amino]benzoate is COC(=O)c1ccc(C)c(NC(=O)c2sc3ccccc3c2C)c1.
What is the InChIKey of methyl 4-methyl-3-[(3-methyl-1-benzothiophene-2-carbonyl)amino]benzoate?
The InChIKey is NVVMQUNJEJZTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-11-8-9-13(19(22)23-3)10-15(11)20-18(21)17-12(2)14-6-4-5-7-16(14)24-17/h4-10H,1-3H3,(H,20,21).
What are the key properties of methyl 4-methyl-3-[(3-methyl-1-benzothiophene-2-carbonyl)amino]benzoate?
methyl 4-methyl-3-[(3-methyl-1-benzothiophene-2-carbonyl)amino]benzoate has a molecular weight of 339.42 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(3-methyl-1-benzothiophene-2-carbonyl)amino]benzoate is sourced from PubChem (CID 8565364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).