[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

C15H18ClNO4S — CID 2510921

IUPAC[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(CNC(=O)C1CCCCC1)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H18ClNO4S/c16-13-7-6-12(22-13)11(18)9-21-14(19)8-17-15(20)10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,17,20)
InChIKeyDDEDPCGMWVVAFS-UHFFFAOYSA-N
MW343.83 g/mol
LogP2.82
Rot. Bonds6

About [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (PubChem CID 2510921) has the molecular formula C15H18ClNO4S and a molecular weight of 343.83 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
PubChem CID2510921
Molecular FormulaC15H18ClNO4S
Molecular Weight343.83 g/mol
Exact Mass343.06
IUPAC Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(CNC(=O)C1CCCCC1)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H18ClNO4S/c16-13-7-6-12(22-13)11(18)9-21-14(19)8-17-15(20)10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,17,20)
InChIKeyDDEDPCGMWVVAFS-UHFFFAOYSA-N
XLogP2.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547405
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 2372674
(4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate
CID 8662028
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 31653610
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 42964685
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46796053
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 7807666
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7884019
1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one
CID 43161016
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547362
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate
CID 7807697
1-(5-chlorothiophen-2-yl)-3-cyclopropylpropane-1,3-dione
CID 63320072

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (CID 2510921) is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is O=C(CNC(=O)C1CCCCC1)OCC(=O)c1ccc(Cl)s1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is DDEDPCGMWVVAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4S/c16-13-7-6-12(22-13)11(18)9-21-14(19)8-17-15(20)10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,17,20).
What are the key properties of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 343.83 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 2510921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).