methyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate

C16H17NO3S — CID 43403969

IUPACmethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate
SMILESCCc1sc(C(=O)Nc2ccccc2C(=O)OC)cc1C
InChIInChI=1S/C16H17NO3S/c1-4-13-10(2)9-14(21-13)15(18)17-12-8-6-5-7-11(12)16(19)20-3/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyUOLGPMZXGPNSNT-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.66
Rot. Bonds4

About methyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate

methyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate (PubChem CID 43403969) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is methyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate
PubChem CID43403969
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Namemethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate
SMILESCCc1sc(C(=O)Nc2ccccc2C(=O)OC)cc1C
InChIInChI=1S/C16H17NO3S/c1-4-13-10(2)9-14(21-13)15(18)17-12-8-6-5-7-11(12)16(19)20-3/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyUOLGPMZXGPNSNT-UHFFFAOYSA-N
XLogP3.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-methyl-N-[2-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24670328
N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 4820666
methyl 2-[[4-(dimethylsulfamoyl)-5-methylthiophene-2-carbonyl]amino]benzoate
CID 6502716
5-ethyl-N-(2-ethyl-6-methylphenyl)-4-methylthiophene-2-carboxamide
CID 4820644
5-ethyl-4-methyl-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 7914877
5-ethyl-4-methyl-N-(4-methylphenyl)thiophene-2-carboxamide
CID 7733711
ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate
CID 19205138
3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264822
4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid
CID 60826737
2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid
CID 119231593
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
4-ethyl-N-(2-methylphenyl)-5-propylthiophene-2-carboxamide
CID 26914221

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate (CID 43403969) is methyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate is CCc1sc(C(=O)Nc2ccccc2C(=O)OC)cc1C.
What is the InChIKey of methyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate?
The InChIKey is UOLGPMZXGPNSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-4-13-10(2)9-14(21-13)15(18)17-12-8-6-5-7-11(12)16(19)20-3/h5-9H,4H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate?
methyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate has a molecular weight of 303.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate is sourced from PubChem (CID 43403969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).