ethyl 2-(cyclohexanecarbonylamino)-5-propylthiophene-3-carboxylate

C17H25NO3S — CID 46095143

IUPACethyl 2-(cyclohexanecarbonylamino)-5-propylthiophene-3-carboxylate
SMILESCCCc1cc(C(=O)OCC)c(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C17H25NO3S/c1-3-8-13-11-14(17(20)21-4-2)16(22-13)18-15(19)12-9-6-5-7-10-12/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyYFDBUAPWIPGXKO-UHFFFAOYSA-N
MW323.46 g/mol
LogP4.40
Rot. Bonds6

About ethyl 2-(cyclohexanecarbonylamino)-5-propylthiophene-3-carboxylate

ethyl 2-(cyclohexanecarbonylamino)-5-propylthiophene-3-carboxylate (PubChem CID 46095143) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is ethyl 2-(cyclohexanecarbonylamino)-5-propylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclohexanecarbonylamino)-5-propylthiophene-3-carboxylate
PubChem CID46095143
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Nameethyl 2-(cyclohexanecarbonylamino)-5-propylthiophene-3-carboxylate
SMILESCCCc1cc(C(=O)OCC)c(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C17H25NO3S/c1-3-8-13-11-14(17(20)21-4-2)16(22-13)18-15(19)12-9-6-5-7-10-12/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyYFDBUAPWIPGXKO-UHFFFAOYSA-N
XLogP4.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S,3S,4S)-3-[(3-ethoxycarbonyl-5-propylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98233160
(1S,2R,3S,4S)-3-[(3-ethoxycarbonyl-5-propylthiophen-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98203693
(1S,6R)-6-[(3-ethoxycarbonyl-5-propylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 995593
ethyl 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate
CID 46095200
ethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate
CID 46095194
(1S,2S,3R,4S)-3-[(3-ethoxycarbonyl-5-propylthiophen-2-yl)carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid
CID 98202740
ethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate
CID 841453
(1R,2S,3S,4R)-3-[(3-ethoxycarbonyl-5-propylthiophen-2-yl)carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylate
CID 18555105
ethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate
CID 63005194
tert-butyl 3-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]piperidine-1-carboxylate
CID 84560312
ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate
CID 60629911
ethyl 2-[(2-aminocyclopentanecarbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 64822095

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclohexanecarbonylamino)-5-propylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(cyclohexanecarbonylamino)-5-propylthiophene-3-carboxylate (CID 46095143) is ethyl 2-(cyclohexanecarbonylamino)-5-propylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(cyclohexanecarbonylamino)-5-propylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(cyclohexanecarbonylamino)-5-propylthiophene-3-carboxylate is CCCc1cc(C(=O)OCC)c(NC(=O)C2CCCCC2)s1.
What is the InChIKey of ethyl 2-(cyclohexanecarbonylamino)-5-propylthiophene-3-carboxylate?
The InChIKey is YFDBUAPWIPGXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-3-8-13-11-14(17(20)21-4-2)16(22-13)18-15(19)12-9-6-5-7-10-12/h11-12H,3-10H2,1-2H3,(H,18,19).
What are the key properties of ethyl 2-(cyclohexanecarbonylamino)-5-propylthiophene-3-carboxylate?
ethyl 2-(cyclohexanecarbonylamino)-5-propylthiophene-3-carboxylate has a molecular weight of 323.46 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclohexanecarbonylamino)-5-propylthiophene-3-carboxylate is sourced from PubChem (CID 46095143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).