[2-(cyclopentylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate

C18H18ClNO3S — CID 7847856

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2ccc(Cl)cc2)s1)NC1CCCC1
InChIInChI=1S/C18H18ClNO3S/c19-13-7-5-12(6-8-13)15-9-10-16(24-15)18(22)23-11-17(21)20-14-3-1-2-4-14/h5-10,14H,1-4,11H2,(H,20,21)
InChIKeyRSLKZRVQJPSVGZ-UHFFFAOYSA-N
MW363.87 g/mol
LogP4.28
Rot. Bonds5

About [2-(cyclopentylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate

[2-(cyclopentylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate (PubChem CID 7847856) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
PubChem CID7847856
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2ccc(Cl)cc2)s1)NC1CCCC1
InChIInChI=1S/C18H18ClNO3S/c19-13-7-5-12(6-8-13)15-9-10-16(24-15)18(22)23-11-17(21)20-14-3-1-2-4-14/h5-10,14H,1-4,11H2,(H,20,21)
InChIKeyRSLKZRVQJPSVGZ-UHFFFAOYSA-N
XLogP4.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 8563050
[2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4803859
[2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489093
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 7847849
[2-(2-methoxyanilino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 7847863
[2-(cycloheptylamino)-2-oxoethyl] 3-chlorobenzoate
CID 2121282
2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 17412087
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide
CID 119426767
[2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8867507
bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 2999823

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate (CID 7847856) is [2-(cyclopentylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate is O=C(COC(=O)c1ccc(-c2ccc(Cl)cc2)s1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
The InChIKey is RSLKZRVQJPSVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c19-13-7-5-12(6-8-13)15-9-10-16(24-15)18(22)23-11-17(21)20-14-3-1-2-4-14/h5-10,14H,1-4,11H2,(H,20,21).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
[2-(cyclopentylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate has a molecular weight of 363.87 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 7847856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).