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

C20H17NO3S — CID 121238680

IUPACmethyl 4-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(C)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C20H17NO3S/c1-13-12-17(25-18(13)14-6-4-3-5-7-14)19(22)21-16-10-8-15(9-11-16)20(23)24-2/h3-12H,1-2H3,(H,21,22)
InChIKeyFTPSMOWDEDLQNP-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.76
Rot. Bonds4

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

methyl 4-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]benzoate (PubChem CID 121238680) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is methyl 4-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]benzoate
PubChem CID121238680
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC Namemethyl 4-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(C)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C20H17NO3S/c1-13-12-17(25-18(13)14-6-4-3-5-7-14)19(22)21-16-10-8-15(9-11-16)20(23)24-2/h3-12H,1-2H3,(H,21,22)
InChIKeyFTPSMOWDEDLQNP-UHFFFAOYSA-N
XLogP4.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid
CID 59654667
methyl 4-(2-oxo-5-phenyl-1,3-dithiol-4-yl)benzoate
CID 86696092
methyl 4-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate
CID 27873719
methyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate
CID 38886727
methyl 2-phenylazulene-6-carboxylate
CID 23257786
methyl 4-[(2-hydroxy-3-methylbenzoyl)amino]benzoate
CID 43422488
methyl 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate
CID 110699348
5-ethyl-4-methyl-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 7914877
methyl 5-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoyl]-3-methylthiophene-2-carboxylate
CID 167810499
methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate
CID 114822079
methyl 4-[(3-hydroxybenzoyl)amino]benzoate
CID 43404225
methyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate
CID 38764463

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]benzoate (CID 121238680) is methyl 4-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(C)c(-c3ccccc3)s2)cc1.
What is the InChIKey of methyl 4-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]benzoate?
The InChIKey is FTPSMOWDEDLQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-13-12-17(25-18(13)14-6-4-3-5-7-14)19(22)21-16-10-8-15(9-11-16)20(23)24-2/h3-12H,1-2H3,(H,21,22).
What are the key properties of methyl 4-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]benzoate?
methyl 4-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]benzoate has a molecular weight of 351.43 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]benzoate is sourced from PubChem (CID 121238680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).