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

C13H10INO3S — CID 38768210

IUPACmethyl 5-[(4-iodophenyl)carbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(I)cc2)s1
InChIInChI=1S/C13H10INO3S/c1-18-13(17)11-7-6-10(19-11)12(16)15-9-4-2-8(14)3-5-9/h2-7H,1H3,(H,15,16)
InChIKeyMXZMAYHPPHLVJR-UHFFFAOYSA-N
MW387.20 g/mol
LogP3.39
Rot. Bonds3

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

methyl 5-[(4-iodophenyl)carbamoyl]thiophene-2-carboxylate (PubChem CID 38768210) has the molecular formula C13H10INO3S and a molecular weight of 387.20 g/mol. Its IUPAC name is methyl 5-[(4-iodophenyl)carbamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-iodophenyl)carbamoyl]thiophene-2-carboxylate
PubChem CID38768210
Molecular FormulaC13H10INO3S
Molecular Weight387.20 g/mol
Exact Mass386.94
IUPAC Namemethyl 5-[(4-iodophenyl)carbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(I)cc2)s1
InChIInChI=1S/C13H10INO3S/c1-18-13(17)11-7-6-10(19-11)12(16)15-9-4-2-8(14)3-5-9/h2-7H,1H3,(H,15,16)
InChIKeyMXZMAYHPPHLVJR-UHFFFAOYSA-N
XLogP3.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.20
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate
CID 38764463
methyl 5-[[4-(cyclopropanecarbonylamino)phenyl]carbamoyl]thiophene-2-carboxylate
CID 38753329
methyl 5-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]thiophene-2-carboxylate
CID 134050303
methyl 5-[(2-methoxy-4-methylphenyl)carbamoyl]thiophene-2-carboxylate
CID 87028686
5-(phenylcarbamoyl)thiophene-2-carboxylic acid
CID 43414375
hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid
CID 159424463
methyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate
CID 35187739
methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate
CID 4072395
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212
methyl 5-(ethoxycarbamoyl)thiophene-2-carboxylate
CID 47154054
methyl 5-[[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]carbamoyl]thiophene-2-carboxylate
CID 55968077

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-iodophenyl)carbamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[(4-iodophenyl)carbamoyl]thiophene-2-carboxylate (CID 38768210) is methyl 5-[(4-iodophenyl)carbamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-iodophenyl)carbamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[(4-iodophenyl)carbamoyl]thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)Nc2ccc(I)cc2)s1.
What is the InChIKey of methyl 5-[(4-iodophenyl)carbamoyl]thiophene-2-carboxylate?
The InChIKey is MXZMAYHPPHLVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10INO3S/c1-18-13(17)11-7-6-10(19-11)12(16)15-9-4-2-8(14)3-5-9/h2-7H,1H3,(H,15,16).
What are the key properties of methyl 5-[(4-iodophenyl)carbamoyl]thiophene-2-carboxylate?
methyl 5-[(4-iodophenyl)carbamoyl]thiophene-2-carboxylate has a molecular weight of 387.20 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-iodophenyl)carbamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 38768210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).