methyl 3-[(3-acetylphenyl)carbamoylamino]thiophene-2-carboxylate

C15H14N2O4S — CID 970042

IUPACmethyl 3-[(3-acetylphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C15H14N2O4S/c1-9(18)10-4-3-5-11(8-10)16-15(20)17-12-6-7-22-13(12)14(19)21-2/h3-8H,1-2H3,(H2,16,17,20)
InChIKeyRPYXURSFMWLPAE-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.38
Rot. Bonds4

About methyl 3-[(3-acetylphenyl)carbamoylamino]thiophene-2-carboxylate

methyl 3-[(3-acetylphenyl)carbamoylamino]thiophene-2-carboxylate (PubChem CID 970042) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is methyl 3-[(3-acetylphenyl)carbamoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-acetylphenyl)carbamoylamino]thiophene-2-carboxylate
PubChem CID970042
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Namemethyl 3-[(3-acetylphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C15H14N2O4S/c1-9(18)10-4-3-5-11(8-10)16-15(20)17-12-6-7-22-13(12)14(19)21-2/h3-8H,1-2H3,(H2,16,17,20)
InChIKeyRPYXURSFMWLPAE-UHFFFAOYSA-N
XLogP3.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-acetylphenyl)carbamoylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3-acetylphenyl)carbamoylamino]thiophene-2-carboxylate (CID 970042) is methyl 3-[(3-acetylphenyl)carbamoylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-acetylphenyl)carbamoylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3-acetylphenyl)carbamoylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of methyl 3-[(3-acetylphenyl)carbamoylamino]thiophene-2-carboxylate?
The InChIKey is RPYXURSFMWLPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-9(18)10-4-3-5-11(8-10)16-15(20)17-12-6-7-22-13(12)14(19)21-2/h3-8H,1-2H3,(H2,16,17,20).
What are the key properties of methyl 3-[(3-acetylphenyl)carbamoylamino]thiophene-2-carboxylate?
methyl 3-[(3-acetylphenyl)carbamoylamino]thiophene-2-carboxylate has a molecular weight of 318.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-acetylphenyl)carbamoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 970042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).