methyl 2-[(3-ethoxycarbonylphenyl)carbamoylamino]-4-methylthiophene-3-carboxylate

C17H18N2O5S — CID 175896622

IUPACmethyl 2-[(3-ethoxycarbonylphenyl)carbamoylamino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cccc(NC(=O)Nc2scc(C)c2C(=O)OC)c1
InChIInChI=1S/C17H18N2O5S/c1-4-24-15(20)11-6-5-7-12(8-11)18-17(22)19-14-13(16(21)23-3)10(2)9-25-14/h5-9H,4H2,1-3H3,(H2,18,19,22)
InChIKeyUKFUGUJKSCPAND-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.66
Rot. Bonds5

About methyl 2-[(3-ethoxycarbonylphenyl)carbamoylamino]-4-methylthiophene-3-carboxylate

methyl 2-[(3-ethoxycarbonylphenyl)carbamoylamino]-4-methylthiophene-3-carboxylate (PubChem CID 175896622) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is methyl 2-[(3-ethoxycarbonylphenyl)carbamoylamino]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-ethoxycarbonylphenyl)carbamoylamino]-4-methylthiophene-3-carboxylate
PubChem CID175896622
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Namemethyl 2-[(3-ethoxycarbonylphenyl)carbamoylamino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cccc(NC(=O)Nc2scc(C)c2C(=O)OC)c1
InChIInChI=1S/C17H18N2O5S/c1-4-24-15(20)11-6-5-7-12(8-11)18-17(22)19-14-13(16(21)23-3)10(2)9-25-14/h5-9H,4H2,1-3H3,(H2,18,19,22)
InChIKeyUKFUGUJKSCPAND-UHFFFAOYSA-N
XLogP3.66
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-methyl-2-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]thiophene-3-carboxylate
CID 137451606
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-[(4-methoxy-2-methylphenyl)carbamoylamino]benzoate
CID 46860218
ethyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 47221039
ethyl 3-(propylcarbamoylamino)benzoate
CID 19169955
ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate
CID 59636673
ethyl 3-[(5-iodothiophene-3-carbonyl)amino]benzoate
CID 78949117
ethyl 3-(cyclobutylcarbamoylamino)benzoate
CID 3737149
ethyl 3-(2-bromoethylcarbamoylamino)benzoate
CID 11324499
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905
ethyl 3-(3-oxobutanoylamino)benzoate
CID 18072873
ethyl 2-[(2-methoxycyclopropyl)carbamoylamino]-4-methylthiophene-3-carboxylate
CID 134366435

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-ethoxycarbonylphenyl)carbamoylamino]-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(3-ethoxycarbonylphenyl)carbamoylamino]-4-methylthiophene-3-carboxylate (CID 175896622) is methyl 2-[(3-ethoxycarbonylphenyl)carbamoylamino]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(3-ethoxycarbonylphenyl)carbamoylamino]-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(3-ethoxycarbonylphenyl)carbamoylamino]-4-methylthiophene-3-carboxylate is CCOC(=O)c1cccc(NC(=O)Nc2scc(C)c2C(=O)OC)c1.
What is the InChIKey of methyl 2-[(3-ethoxycarbonylphenyl)carbamoylamino]-4-methylthiophene-3-carboxylate?
The InChIKey is UKFUGUJKSCPAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-4-24-15(20)11-6-5-7-12(8-11)18-17(22)19-14-13(16(21)23-3)10(2)9-25-14/h5-9H,4H2,1-3H3,(H2,18,19,22).
What are the key properties of methyl 2-[(3-ethoxycarbonylphenyl)carbamoylamino]-4-methylthiophene-3-carboxylate?
methyl 2-[(3-ethoxycarbonylphenyl)carbamoylamino]-4-methylthiophene-3-carboxylate has a molecular weight of 362.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-ethoxycarbonylphenyl)carbamoylamino]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 175896622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).