ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclopropylamino]acetate

C15H18ClNO3S — CID 61410210

IUPACethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)CSc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C15H18ClNO3S/c1-2-20-15(19)9-17(12-5-6-12)14(18)10-21-13-7-3-11(16)4-8-13/h3-4,7-8,12H,2,5-6,9-10H2,1H3
InChIKeyJVXQTUHRFCVXLW-UHFFFAOYSA-N
MW327.83 g/mol
LogP2.99
Rot. Bonds7

About ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclopropylamino]acetate

ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclopropylamino]acetate (PubChem CID 61410210) has the molecular formula C15H18ClNO3S and a molecular weight of 327.83 g/mol. Its IUPAC name is ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclopropylamino]acetate
PubChem CID61410210
Molecular FormulaC15H18ClNO3S
Molecular Weight327.83 g/mol
Exact Mass327.07
IUPAC Nameethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)CSc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C15H18ClNO3S/c1-2-20-15(19)9-17(12-5-6-12)14(18)10-21-13-7-3-11(16)4-8-13/h3-4,7-8,12H,2,5-6,9-10H2,1H3
InChIKeyJVXQTUHRFCVXLW-UHFFFAOYSA-N
XLogP2.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[cyclopropyl-[2-(2,6-dichlorophenyl)acetyl]amino]acetate
CID 61410087
ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate
CID 61410393
methyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate
CID 80718069
ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate
CID 54979510
ethyl 2-[cyclopropyl-[(3,5-dichlorophenyl)carbamoyl]amino]acetate
CID 107654415
2-[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid
CID 54945815
ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate
CID 60949097
2-[4-(4-chlorophenyl)sulfanylbutanoyl-cyclopropylamino]acetic acid
CID 60826867
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352
ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate
CID 61410094
ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate
CID 82799836
ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate
CID 79035812

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclopropylamino]acetate (CID 61410210) is ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclopropylamino]acetate is CCOC(=O)CN(C(=O)CSc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclopropylamino]acetate?
The InChIKey is JVXQTUHRFCVXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3S/c1-2-20-15(19)9-17(12-5-6-12)14(18)10-21-13-7-3-11(16)4-8-13/h3-4,7-8,12H,2,5-6,9-10H2,1H3.
What are the key properties of ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclopropylamino]acetate?
ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclopropylamino]acetate has a molecular weight of 327.83 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclopropylamino]acetate is sourced from PubChem (CID 61410210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).