methyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate

C19H15NO4S — CID 38764463

IUPACmethyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C19H15NO4S/c1-23-19(22)17-12-11-16(25-17)18(21)20-13-7-9-15(10-8-13)24-14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21)
InChIKeyFSIHGLMXQOWOFU-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.58
Rot. Bonds5

About methyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate

methyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate (PubChem CID 38764463) has the molecular formula C19H15NO4S and a molecular weight of 353.40 g/mol. Its IUPAC name is methyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate
PubChem CID38764463
Molecular FormulaC19H15NO4S
Molecular Weight353.40 g/mol
Exact Mass353.07
IUPAC Namemethyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C19H15NO4S/c1-23-19(22)17-12-11-16(25-17)18(21)20-13-7-9-15(10-8-13)24-14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21)
InChIKeyFSIHGLMXQOWOFU-UHFFFAOYSA-N
XLogP4.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(4-iodophenyl)carbamoyl]thiophene-2-carboxylate
CID 38768210
methyl 5-[[4-(cyclopropanecarbonylamino)phenyl]carbamoyl]thiophene-2-carboxylate
CID 38753329
5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 27006016
methyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate
CID 44999634
5-ethyl-4-methyl-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 7914877
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
methyl 2-oxo-2-(4-phenoxyanilino)acetate
CID 53359368
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
methyl 5-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]thiophene-2-carboxylate
CID 134050303
methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 39725172
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate (CID 38764463) is methyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)s1.
What is the InChIKey of methyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate?
The InChIKey is FSIHGLMXQOWOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S/c1-23-19(22)17-12-11-16(25-17)18(21)20-13-7-9-15(10-8-13)24-14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21).
What are the key properties of methyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate?
methyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate has a molecular weight of 353.40 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 38764463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).