[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate

C18H26N2O4S — CID 46812642

IUPAC[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate
SMILESCCN(C(=O)COC(=O)CCNC(=O)c1cccs1)C1CCCCC1
InChIInChI=1S/C18H26N2O4S/c1-2-20(14-7-4-3-5-8-14)16(21)13-24-17(22)10-11-19-18(23)15-9-6-12-25-15/h6,9,12,14H,2-5,7-8,10-11,13H2,1H3,(H,19,23)
InChIKeyAAIFINBZJISQDG-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.59
Rot. Bonds8

About [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate (PubChem CID 46812642) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate
PubChem CID46812642
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate
SMILESCCN(C(=O)COC(=O)CCNC(=O)c1cccs1)C1CCCCC1
InChIInChI=1S/C18H26N2O4S/c1-2-20(14-7-4-3-5-8-14)16(21)13-24-17(22)10-11-19-18(23)15-9-6-12-25-15/h6,9,12,14H,2-5,7-8,10-11,13H2,1H3,(H,19,23)
InChIKeyAAIFINBZJISQDG-UHFFFAOYSA-N
XLogP2.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 134060864
[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808018
N-[2-[cyclohexyl(methyl)amino]ethyl]thiophene-2-carboxamide
CID 86848703
N-[2-[acetyl(cyclopentyl)amino]ethyl]thiophene-2-carboxamide
CID 113052781
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 42965668
methyl 2-[ethyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]acetate
CID 61383225
ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate
CID 51180748
butyl 3-(thiophene-2-carbonylamino)propanoate
CID 91704806
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 42012351
methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate
CID 80709531
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(thiophene-2-carbonylamino)propanoate
CID 43027083
[2-[butyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808044

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate (CID 46812642) is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate is CCN(C(=O)COC(=O)CCNC(=O)c1cccs1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate?
The InChIKey is AAIFINBZJISQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-2-20(14-7-4-3-5-8-14)16(21)13-24-17(22)10-11-19-18(23)15-9-6-12-25-15/h6,9,12,14H,2-5,7-8,10-11,13H2,1H3,(H,19,23).
What are the key properties of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate?
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate has a molecular weight of 366.48 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 46812642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).