[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate

C21H23N3O5S — CID 43015410

IUPAC[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
SMILESCC(OC(=O)c1ccc(NC(=O)c2cccs2)cc1)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C21H23N3O5S/c1-13(18(25)24-21(28)23-15-5-2-3-6-15)29-20(27)14-8-10-16(11-9-14)22-19(26)17-7-4-12-30-17/h4,7-13,15H,2-3,5-6H2,1H3,(H,22,26)(H2,23,24,25,28)
InChIKeyOOACXHMQUMDKJU-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.31
Rot. Bonds6

About [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate

[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate (PubChem CID 43015410) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
PubChem CID43015410
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
SMILESCC(OC(=O)c1ccc(NC(=O)c2cccs2)cc1)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C21H23N3O5S/c1-13(18(25)24-21(28)23-15-5-2-3-6-15)29-20(27)14-8-10-16(11-9-14)22-19(26)17-7-4-12-30-17/h4,7-13,15H,2-3,5-6H2,1H3,(H,22,26)(H2,23,24,25,28)
InChIKeyOOACXHMQUMDKJU-UHFFFAOYSA-N
XLogP3.31
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815289
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 55380108
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 55425185
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(thiophene-2-carbonylamino)benzoate
CID 18194139
propan-2-yl 4-(thiophene-2-carbonylamino)benzoate
CID 718334
[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 43029169
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 17483187
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 27965444
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133587
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-cyanobenzoate
CID 26761509
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 9307296
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 55358871

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate (CID 43015410) is [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate is CC(OC(=O)c1ccc(NC(=O)c2cccs2)cc1)C(=O)NC(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate?
The InChIKey is OOACXHMQUMDKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-13(18(25)24-21(28)23-15-5-2-3-6-15)29-20(27)14-8-10-16(11-9-14)22-19(26)17-7-4-12-30-17/h4,7-13,15H,2-3,5-6H2,1H3,(H,22,26)(H2,23,24,25,28).
What are the key properties of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate?
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate has a molecular weight of 429.50 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 43015410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).