methyl 5-[2-(3-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate

C19H17NO3S2 — CID 69490500

IUPACmethyl 5-[2-(3-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCCc2cccc(-c3cccs3)c2)s1
InChIInChI=1S/C19H17NO3S2/c1-23-19(22)17-8-7-16(25-17)18(21)20-10-9-13-4-2-5-14(12-13)15-6-3-11-24-15/h2-8,11-12H,9-10H2,1H3,(H,20,21)
InChIKeyMCVJQXFKMGCRDS-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.24
Rot. Bonds6

About methyl 5-[2-(3-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate

methyl 5-[2-(3-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate (PubChem CID 69490500) has the molecular formula C19H17NO3S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is methyl 5-[2-(3-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(3-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate
PubChem CID69490500
Molecular FormulaC19H17NO3S2
Molecular Weight371.48 g/mol
Exact Mass371.06
IUPAC Namemethyl 5-[2-(3-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCCc2cccc(-c3cccs3)c2)s1
InChIInChI=1S/C19H17NO3S2/c1-23-19(22)17-8-7-16(25-17)18(21)20-10-9-13-4-2-5-14(12-13)15-6-3-11-24-15/h2-8,11-12H,9-10H2,1H3,(H,20,21)
InChIKeyMCVJQXFKMGCRDS-UHFFFAOYSA-N
XLogP4.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[2-(4-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate
CID 69490597
N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11702829
3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid
CID 55235306
N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11616767
N-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide
CID 71690068
5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 47222257
(3-thiophen-2-ylphenyl)methanol
CID 7537586
methyl 5-[2-(1-benzothiophen-3-yl)ethylcarbamoyl]thiophene-2-carboxylate
CID 87020534
5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 119185444
5-[(E)-3-(dimethylamino)prop-2-enoyl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 59777072
N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide
CID 62295549
N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134048088

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(3-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[2-(3-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate (CID 69490500) is methyl 5-[2-(3-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[2-(3-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[2-(3-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)NCCc2cccc(-c3cccs3)c2)s1.
What is the InChIKey of methyl 5-[2-(3-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate?
The InChIKey is MCVJQXFKMGCRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S2/c1-23-19(22)17-8-7-16(25-17)18(21)20-10-9-13-4-2-5-14(12-13)15-6-3-11-24-15/h2-8,11-12H,9-10H2,1H3,(H,20,21).
What are the key properties of methyl 5-[2-(3-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate?
methyl 5-[2-(3-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate has a molecular weight of 371.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(3-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 69490500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).