methyl 5-benzyl-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate

C19H17NO3S2 — CID 1010283

IUPACmethyl 5-benzyl-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cccs2)sc(Cc2ccccc2)c1C
InChIInChI=1S/C19H17NO3S2/c1-12-15(11-13-7-4-3-5-8-13)25-18(16(12)19(22)23-2)20-17(21)14-9-6-10-24-14/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyKAQBIQRGYIXHCD-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.75
Rot. Bonds5

About methyl 5-benzyl-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate

methyl 5-benzyl-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 1010283) has the molecular formula C19H17NO3S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is methyl 5-benzyl-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-benzyl-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
PubChem CID1010283
Molecular FormulaC19H17NO3S2
Molecular Weight371.48 g/mol
Exact Mass371.06
IUPAC Namemethyl 5-benzyl-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cccs2)sc(Cc2ccccc2)c1C
InChIInChI=1S/C19H17NO3S2/c1-12-15(11-13-7-4-3-5-8-13)25-18(16(12)19(22)23-2)20-17(21)14-9-6-10-24-14/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyKAQBIQRGYIXHCD-UHFFFAOYSA-N
XLogP4.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-5-(2-phenylethylcarbamoyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 17061584
4-[(5-benzyl-3-methoxycarbonyl-4-methylthiophen-2-yl)amino]-4-oxobut-2-enoate
CID 4082486
methyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 1131500
methyl 4,5-dimethyl-2-[4-(thiophene-2-carbonylamino)butanoylamino]thiophene-3-carboxylate
CID 51182401
2-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamoyl]benzoic acid
CID 1016213
5-benzyl-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide
CID 1178231
methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 2808577
methyl 4-(4-methylphenyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 1012402
5-benzyl-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxamide
CID 1013520
5-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide
CID 1010410
4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)amino]-4-oxobutanoate
CID 4078615
methyl 4,5-dimethyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]thiophene-3-carboxylate
CID 9050682

Frequently Asked Questions

What is the IUPAC name of methyl 5-benzyl-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of methyl 5-benzyl-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate (CID 1010283) is methyl 5-benzyl-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-benzyl-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for methyl 5-benzyl-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2cccs2)sc(Cc2ccccc2)c1C.
What is the InChIKey of methyl 5-benzyl-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is KAQBIQRGYIXHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S2/c1-12-15(11-13-7-4-3-5-8-13)25-18(16(12)19(22)23-2)20-17(21)14-9-6-10-24-14/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of methyl 5-benzyl-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
methyl 5-benzyl-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 371.48 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-benzyl-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 1010283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).