methyl 5-[2-(4-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate

C19H17NO3S2 — CID 69490597

IUPACmethyl 5-[2-(4-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCCc2ccc(-c3cccs3)cc2)s1
InChIInChI=1S/C19H17NO3S2/c1-23-19(22)17-9-8-16(25-17)18(21)20-11-10-13-4-6-14(7-5-13)15-3-2-12-24-15/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyRJPHXFFQFJUBDP-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.24
Rot. Bonds6

About methyl 5-[2-(4-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate

methyl 5-[2-(4-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate (PubChem CID 69490597) has the molecular formula C19H17NO3S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is methyl 5-[2-(4-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(4-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate
PubChem CID69490597
Molecular FormulaC19H17NO3S2
Molecular Weight371.48 g/mol
Exact Mass371.06
IUPAC Namemethyl 5-[2-(4-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCCc2ccc(-c3cccs3)cc2)s1
InChIInChI=1S/C19H17NO3S2/c1-23-19(22)17-9-8-16(25-17)18(21)20-11-10-13-4-6-14(7-5-13)15-3-2-12-24-15/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyRJPHXFFQFJUBDP-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-(3-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate
CID 69490500
methyl 5-[2-(1-benzothiophen-3-yl)ethylcarbamoyl]thiophene-2-carboxylate
CID 87020534
N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide
CID 117089481
N-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide
CID 71690068
N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11638903
4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid
CID 43233765
N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11702829
N-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide
CID 117088911
5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 119185444
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 27548616
5-(4-carbamoylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-carboxamide
CID 117087857
2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide
CID 146105331

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(4-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[2-(4-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate (CID 69490597) is methyl 5-[2-(4-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[2-(4-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[2-(4-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)NCCc2ccc(-c3cccs3)cc2)s1.
What is the InChIKey of methyl 5-[2-(4-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate?
The InChIKey is RJPHXFFQFJUBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S2/c1-23-19(22)17-9-8-16(25-17)18(21)20-11-10-13-4-6-14(7-5-13)15-3-2-12-24-15/h2-9,12H,10-11H2,1H3,(H,20,21).
What are the key properties of methyl 5-[2-(4-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate?
methyl 5-[2-(4-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-(4-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 69490597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).