methyl 3-(cyclopropanecarbonylamino)-5-phenylthiophene-2-carboxylate

C16H15NO3S — CID 4071548

IUPACmethyl 3-(cyclopropanecarbonylamino)-5-phenylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C1CC1
InChIInChI=1S/C16H15NO3S/c1-20-16(19)14-12(17-15(18)11-7-8-11)9-13(21-14)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,17,18)
InChIKeyRIMVNGIWSLFHJI-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.55
Rot. Bonds4

About methyl 3-(cyclopropanecarbonylamino)-5-phenylthiophene-2-carboxylate

methyl 3-(cyclopropanecarbonylamino)-5-phenylthiophene-2-carboxylate (PubChem CID 4071548) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is methyl 3-(cyclopropanecarbonylamino)-5-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclopropanecarbonylamino)-5-phenylthiophene-2-carboxylate
PubChem CID4071548
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Namemethyl 3-(cyclopropanecarbonylamino)-5-phenylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C1CC1
InChIInChI=1S/C16H15NO3S/c1-20-16(19)14-12(17-15(18)11-7-8-11)9-13(21-14)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,17,18)
InChIKeyRIMVNGIWSLFHJI-UHFFFAOYSA-N
XLogP3.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Hts01037
CID 5714537
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CID 643302
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CID 579516
Methyl 3-[(4-isopropylbenzoyl)amino]-2-thiophenecarboxylate
CID 896134
Methyl 3-[(4-cyanobenzoyl)amino]thiophene-2-carboxylate
CID 2808363
Methyl 3-(2-phenylacetamido)thiophene-2-carboxylate
CID 4079571
Methyl 5-tert-butyl-3-(3-phenylureido)thiophene-2-carboxylate
CID 4163701
Methyl 3-acetamido-5-phenylthiophene-2-carboxylate
CID 4114774
Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate
CID 619692
Methyl 3-amino-5-phenylthiophene-2-carboxylate
CID 700562
Methyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 2808343
Methyl 2-(3-phenylpropanamido)thiophene-3-carboxylate
CID 3332875

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopropanecarbonylamino)-5-phenylthiophene-2-carboxylate?
The IUPAC name of methyl 3-(cyclopropanecarbonylamino)-5-phenylthiophene-2-carboxylate (CID 4071548) is methyl 3-(cyclopropanecarbonylamino)-5-phenylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(cyclopropanecarbonylamino)-5-phenylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-(cyclopropanecarbonylamino)-5-phenylthiophene-2-carboxylate is COC(=O)c1sc(-c2ccccc2)cc1NC(=O)C1CC1.
What is the InChIKey of methyl 3-(cyclopropanecarbonylamino)-5-phenylthiophene-2-carboxylate?
The InChIKey is RIMVNGIWSLFHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-20-16(19)14-12(17-15(18)11-7-8-11)9-13(21-14)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,17,18).
What are the key properties of methyl 3-(cyclopropanecarbonylamino)-5-phenylthiophene-2-carboxylate?
methyl 3-(cyclopropanecarbonylamino)-5-phenylthiophene-2-carboxylate has a molecular weight of 301.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopropanecarbonylamino)-5-phenylthiophene-2-carboxylate is sourced from PubChem (CID 4071548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).