methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]thiophene-3-carboxylate

C18H20N2O5S — CID 166845681

IUPACmethyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H20N2O5S/c1-18(2,3)25-15(21)11-5-7-12(8-6-11)19-17(23)20-14-13(9-10-26-14)16(22)24-4/h5-10H,1-4H3,(H2,19,20,23)
InChIKeyFAUWVIMHOIKUED-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.13
Rot. Bonds4

About methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]thiophene-3-carboxylate

methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]thiophene-3-carboxylate (PubChem CID 166845681) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]thiophene-3-carboxylate
PubChem CID166845681
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Namemethyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H20N2O5S/c1-18(2,3)25-15(21)11-5-7-12(8-6-11)19-17(23)20-14-13(9-10-26-14)16(22)24-4/h5-10H,1-4H3,(H2,19,20,23)
InChIKeyFAUWVIMHOIKUED-UHFFFAOYSA-N
XLogP4.13
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]thiophene-3-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]benzoate
CID 25179118
tert-butyl 2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylate
CID 86626597
2-[(4-acetylphenyl)carbamoylamino]thiophene-3-carboxamide
CID 61347220
methyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate
CID 4293499
tert-butyl 4-(hydroxyamino)benzoate
CID 45089836
4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid
CID 155124786
methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate
CID 7167229
methyl 2-[[(E)-2,3-diaminoprop-2-enoyl]amino]thiophene-3-carboxylate
CID 70971996
methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate
CID 4053233
methyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]thiophene-3-carboxylate
CID 82316810
methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate
CID 7166904
methyl 2-[(4-hydroxyphenyl)methylcarbamoylamino]thiophene-3-carboxylate
CID 142886729

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]thiophene-3-carboxylate (CID 166845681) is methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1.
What is the InChIKey of methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]thiophene-3-carboxylate?
The InChIKey is FAUWVIMHOIKUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-18(2,3)25-15(21)11-5-7-12(8-6-11)19-17(23)20-14-13(9-10-26-14)16(22)24-4/h5-10H,1-4H3,(H2,19,20,23).
What are the key properties of methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]thiophene-3-carboxylate?
methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]thiophene-3-carboxylate has a molecular weight of 376.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]thiophene-3-carboxylate is sourced from PubChem (CID 166845681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).