methyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

C18H18N2O4S — CID 1023160

IUPACmethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C2CC2)sc(C(=O)Nc2ccccc2)c1C
InChIInChI=1S/C18H18N2O4S/c1-10-13(18(23)24-2)17(20-15(21)11-8-9-11)25-14(10)16(22)19-12-6-4-3-5-7-12/h3-7,11H,8-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyTWDZBLJIAXDQTH-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.44
Rot. Bonds5

About methyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

methyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate (PubChem CID 1023160) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is methyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
PubChem CID1023160
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Namemethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C2CC2)sc(C(=O)Nc2ccccc2)c1C
InChIInChI=1S/C18H18N2O4S/c1-10-13(18(23)24-2)17(20-15(21)11-8-9-11)25-14(10)16(22)19-12-6-4-3-5-7-12/h3-7,11H,8-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyTWDZBLJIAXDQTH-UHFFFAOYSA-N
XLogP3.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-amino-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 698230
4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester
CID 809896
Ethyl 3-methyl-5-[(phenylcarbamoyl)amino]thiophene-2-carboxylate
CID 2359669
Methyl 2amino5[(3chloro4methylphenyl)carbamoyl]4methylthiophene3carboxylate (Inh 7)
CID 808903
Methyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 841141
methyl 2-(acetylamino)-4-methyl-5-(N-phenylcarbamoyl)thiophene-3-carboxylate
CID 846267
Methyl 2-amino-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylate
CID 2231873
Dimethyl 5-isobutyramido-3-methylthiophene-2,4-dicarboxylate
CID 662211
5-Carbamoyl-4-methyl-2-[[(3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester
CID 1757274
Ethyl 5-(aminocarbonyl)-4-methyl-2-{[phenyl(phenylthio)acetyl]amino}-3-thiophenecarboxylate
CID 2933309
Methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
CID 1071067
2-Phenylacetylamino-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic acid
CID 2789253

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate (CID 1023160) is methyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate is COC(=O)c1c(NC(=O)C2CC2)sc(C(=O)Nc2ccccc2)c1C.
What is the InChIKey of methyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate?
The InChIKey is TWDZBLJIAXDQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-10-13(18(23)24-2)17(20-15(21)11-8-9-11)25-14(10)16(22)19-12-6-4-3-5-7-12/h3-7,11H,8-9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of methyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate?
methyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate has a molecular weight of 358.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate is sourced from PubChem (CID 1023160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).