methyl 2-[(4-hydroxyphenyl)methylcarbamoylamino]thiophene-3-carboxylate

C14H14N2O4S — CID 142886729

IUPACmethyl 2-[(4-hydroxyphenyl)methylcarbamoylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)NCc1ccc(O)cc1
InChIInChI=1S/C14H14N2O4S/c1-20-13(18)11-6-7-21-12(11)16-14(19)15-8-9-2-4-10(17)5-3-9/h2-7,17H,8H2,1H3,(H2,15,16,19)
InChIKeyIUPXMVRYDSPJOH-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.56
Rot. Bonds4

About methyl 2-[(4-hydroxyphenyl)methylcarbamoylamino]thiophene-3-carboxylate

methyl 2-[(4-hydroxyphenyl)methylcarbamoylamino]thiophene-3-carboxylate (PubChem CID 142886729) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is methyl 2-[(4-hydroxyphenyl)methylcarbamoylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-hydroxyphenyl)methylcarbamoylamino]thiophene-3-carboxylate
PubChem CID142886729
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Namemethyl 2-[(4-hydroxyphenyl)methylcarbamoylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)NCc1ccc(O)cc1
InChIInChI=1S/C14H14N2O4S/c1-20-13(18)11-6-7-21-12(11)16-14(19)15-8-9-2-4-10(17)5-3-9/h2-7,17H,8H2,1H3,(H2,15,16,19)
InChIKeyIUPXMVRYDSPJOH-UHFFFAOYSA-N
XLogP2.56
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate
CID 17144313
methyl 2-(propylcarbamothioylamino)thiophene-3-carboxylate
CID 22966909
2-[(4-cyanophenyl)methylcarbamoylamino]thiophene-3-carboxylic acid
CID 63113857
methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate
CID 41145970
methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate
CID 167763040
methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 2808577
methyl 2-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 22194993
methyl 2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]thiophene-3-carboxylate
CID 97313167
methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]thiophene-3-carboxylate
CID 166845681
methyl 2-[[(E)-2,3-diaminoprop-2-enoyl]amino]thiophene-3-carboxylate
CID 70971996
methyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 6471025
methyl 2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate
CID 110471808

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-hydroxyphenyl)methylcarbamoylamino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[(4-hydroxyphenyl)methylcarbamoylamino]thiophene-3-carboxylate (CID 142886729) is methyl 2-[(4-hydroxyphenyl)methylcarbamoylamino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(4-hydroxyphenyl)methylcarbamoylamino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(4-hydroxyphenyl)methylcarbamoylamino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)NCc1ccc(O)cc1.
What is the InChIKey of methyl 2-[(4-hydroxyphenyl)methylcarbamoylamino]thiophene-3-carboxylate?
The InChIKey is IUPXMVRYDSPJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-20-13(18)11-6-7-21-12(11)16-14(19)15-8-9-2-4-10(17)5-3-9/h2-7,17H,8H2,1H3,(H2,15,16,19).
What are the key properties of methyl 2-[(4-hydroxyphenyl)methylcarbamoylamino]thiophene-3-carboxylate?
methyl 2-[(4-hydroxyphenyl)methylcarbamoylamino]thiophene-3-carboxylate has a molecular weight of 306.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-hydroxyphenyl)methylcarbamoylamino]thiophene-3-carboxylate is sourced from PubChem (CID 142886729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).