[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate

C20H24N2O5S — CID 55511428

IUPAC[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
SMILESCC(OC(=O)c1ccc(NC(=O)c2ccco2)s1)C(=O)NCC1CCCCC1
InChIInChI=1S/C20H24N2O5S/c1-13(18(23)21-12-14-6-3-2-4-7-14)27-20(25)16-9-10-17(28-16)22-19(24)15-8-5-11-26-15/h5,8-11,13-14H,2-4,6-7,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyHZFUPSKOKWCMTQ-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.84
Rot. Bonds7

About [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate

[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate (PubChem CID 55511428) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Name[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
PubChem CID55511428
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
SMILESCC(OC(=O)c1ccc(NC(=O)c2ccco2)s1)C(=O)NCC1CCCCC1
InChIInChI=1S/C20H24N2O5S/c1-13(18(23)21-12-14-6-3-2-4-7-14)27-20(25)16-9-10-17(28-16)22-19(24)15-8-5-11-26-15/h5,8-11,13-14H,2-4,6-7,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyHZFUPSKOKWCMTQ-UHFFFAOYSA-N
XLogP3.84
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-acetylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 55511185
[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18287735
N-[5-[(2-hydroxycyclopentyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 111471137
[2-(2-methylpropylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18149801
[2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18149797
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 1469985
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18149772
propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 31306580
N-[5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55510046
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 55510708
N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 55890673
N-[5-(3-methoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 51330650

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
The IUPAC name of [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate (CID 55511428) is [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
The canonical SMILES for [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate is CC(OC(=O)c1ccc(NC(=O)c2ccco2)s1)C(=O)NCC1CCCCC1.
What is the InChIKey of [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
The InChIKey is HZFUPSKOKWCMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-13(18(23)21-12-14-6-3-2-4-7-14)27-20(25)16-9-10-17(28-16)22-19(24)15-8-5-11-26-15/h5,8-11,13-14H,2-4,6-7,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate has a molecular weight of 404.49 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 55511428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).