methyl 5-[1-[5-(2-methoxyphenyl)thiophen-2-yl]ethylcarbamoyl]thiophene-2-carboxylate

C20H19NO4S2 — CID 69292192

IUPACmethyl 5-[1-[5-(2-methoxyphenyl)thiophen-2-yl]ethylcarbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NC(C)c2ccc(-c3ccccc3OC)s2)s1
InChIInChI=1S/C20H19NO4S2/c1-12(21-19(22)17-10-11-18(27-17)20(23)25-3)15-8-9-16(26-15)13-6-4-5-7-14(13)24-2/h4-12H,1-3H3,(H,21,22)
InChIKeyHYWJNXJVRYJFJI-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.76
Rot. Bonds6

About methyl 5-[1-[5-(2-methoxyphenyl)thiophen-2-yl]ethylcarbamoyl]thiophene-2-carboxylate

methyl 5-[1-[5-(2-methoxyphenyl)thiophen-2-yl]ethylcarbamoyl]thiophene-2-carboxylate (PubChem CID 69292192) has the molecular formula C20H19NO4S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is methyl 5-[1-[5-(2-methoxyphenyl)thiophen-2-yl]ethylcarbamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[5-(2-methoxyphenyl)thiophen-2-yl]ethylcarbamoyl]thiophene-2-carboxylate
PubChem CID69292192
Molecular FormulaC20H19NO4S2
Molecular Weight401.51 g/mol
Exact Mass401.08
IUPAC Namemethyl 5-[1-[5-(2-methoxyphenyl)thiophen-2-yl]ethylcarbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NC(C)c2ccc(-c3ccccc3OC)s2)s1
InChIInChI=1S/C20H19NO4S2/c1-12(21-19(22)17-10-11-18(27-17)20(23)25-3)15-8-9-16(26-15)13-6-4-5-7-14(13)24-2/h4-12H,1-3H3,(H,21,22)
InChIKeyHYWJNXJVRYJFJI-UHFFFAOYSA-N
XLogP4.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-phenylethyl]-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide
CID 92769174
2-O-(2-methoxyphenyl) 5-O-methyl thiophene-2,5-dicarboxylate
CID 87011686
2-N-hydroxy-5-N-[1-[5-(3-methylphenyl)thiophen-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 11494760
methyl 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]thiophene-2-carboxylate
CID 58847505
methyl 5-(2-bromophenyl)thiophene-2-carboxylate
CID 117222348
methyl 5-[1-[4-(trifluoromethylsulfanyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylate
CID 69053685
methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate
CID 4072395
methyl 5-[1-[3-(trifluoromethoxy)phenyl]ethylcarbamoyl]thiophene-2-carboxylate
CID 69052819
methyl 5-(ethoxycarbamoyl)thiophene-2-carboxylate
CID 47154054
5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid
CID 167136873
1-[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]ethylcarbamic acid
CID 135336534
N-(3-methylbutyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide
CID 46082797

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[5-(2-methoxyphenyl)thiophen-2-yl]ethylcarbamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[1-[5-(2-methoxyphenyl)thiophen-2-yl]ethylcarbamoyl]thiophene-2-carboxylate (CID 69292192) is methyl 5-[1-[5-(2-methoxyphenyl)thiophen-2-yl]ethylcarbamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[5-(2-methoxyphenyl)thiophen-2-yl]ethylcarbamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[1-[5-(2-methoxyphenyl)thiophen-2-yl]ethylcarbamoyl]thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)NC(C)c2ccc(-c3ccccc3OC)s2)s1.
What is the InChIKey of methyl 5-[1-[5-(2-methoxyphenyl)thiophen-2-yl]ethylcarbamoyl]thiophene-2-carboxylate?
The InChIKey is HYWJNXJVRYJFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S2/c1-12(21-19(22)17-10-11-18(27-17)20(23)25-3)15-8-9-16(26-15)13-6-4-5-7-14(13)24-2/h4-12H,1-3H3,(H,21,22).
What are the key properties of methyl 5-[1-[5-(2-methoxyphenyl)thiophen-2-yl]ethylcarbamoyl]thiophene-2-carboxylate?
methyl 5-[1-[5-(2-methoxyphenyl)thiophen-2-yl]ethylcarbamoyl]thiophene-2-carboxylate has a molecular weight of 401.51 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[5-(2-methoxyphenyl)thiophen-2-yl]ethylcarbamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 69292192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).