[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate

C18H18ClNO3S — CID 8563050

IUPAC[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
SMILESC[C@@H](NC(=O)COC(=O)c1ccc(-c2ccc(Cl)cc2)s1)C1CC1
InChIInChI=1S/C18H18ClNO3S/c1-11(12-2-3-12)20-17(21)10-23-18(22)16-9-8-15(24-16)13-4-6-14(19)7-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyHAPDOLYUGLVVLQ-LLVKDONJSA-N
MW363.87 g/mol
LogP4.14
Rot. Bonds6

About [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate

[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate (PubChem CID 8563050) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
PubChem CID8563050
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Name[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
SMILESC[C@@H](NC(=O)COC(=O)c1ccc(-c2ccc(Cl)cc2)s1)C1CC1
InChIInChI=1S/C18H18ClNO3S/c1-11(12-2-3-12)20-17(21)10-23-18(22)16-9-8-15(24-16)13-4-6-14(19)7-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyHAPDOLYUGLVVLQ-LLVKDONJSA-N
XLogP4.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate with MolForge

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Related Compounds

[2-(cyclopentylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 7847856
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 9286430
[2-oxo-2-(propylcarbamoylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 7847813
[2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192441
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203367
[2-(2-methoxyanilino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 7847863
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 9081685
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 9018660
N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30796420
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4-difluorobenzoate
CID 9490825
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] benzoate
CID 9018942
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 9286271

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
The IUPAC name of [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate (CID 8563050) is [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
The canonical SMILES for [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate is C[C@@H](NC(=O)COC(=O)c1ccc(-c2ccc(Cl)cc2)s1)C1CC1.
What is the InChIKey of [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
The InChIKey is HAPDOLYUGLVVLQ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c1-11(12-2-3-12)20-17(21)10-23-18(22)16-9-8-15(24-16)13-4-6-14(19)7-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,20,21)/t11-/m1/s1.
What are the key properties of [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate has a molecular weight of 363.87 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 8563050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).