methyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate

C16H21NO3S — CID 80718069

IUPACmethyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate
SMILESCOC(=O)CN(C(=O)CSc1ccccc1)C1CCCC1
InChIInChI=1S/C16H21NO3S/c1-20-16(19)11-17(13-7-5-6-8-13)15(18)12-21-14-9-3-2-4-10-14/h2-4,9-10,13H,5-8,11-12H2,1H3
InChIKeyVXMAFJPZUARVDI-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.72
Rot. Bonds6

About methyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate

methyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate (PubChem CID 80718069) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate
PubChem CID80718069
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Namemethyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate
SMILESCOC(=O)CN(C(=O)CSc1ccccc1)C1CCCC1
InChIInChI=1S/C16H21NO3S/c1-20-16(19)11-17(13-7-5-6-8-13)15(18)12-21-14-9-3-2-4-10-14/h2-4,9-10,13H,5-8,11-12H2,1H3
InChIKeyVXMAFJPZUARVDI-UHFFFAOYSA-N
XLogP2.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-cyclopentyl-2-phenylsulfanylacetamide
CID 79206780
methyl 2-[cyclopentyl(phenylcarbamoyl)amino]acetate
CID 115536075
2-[cyclohexyl-(2-phenylsulfanylacetyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 4229536
ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclopropylamino]acetate
CID 61410210
N-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide
CID 51891785
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615
2-[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid
CID 54945815
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide
CID 78810506
N,N-dimethyl-2-phenylsulfanylacetamide
CID 10921439
methyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate
CID 107148643
methyl 2-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(cyclopentyl)amino]acetate
CID 80717906
methyl 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetate
CID 71969028

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate (CID 80718069) is methyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate is COC(=O)CN(C(=O)CSc1ccccc1)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate?
The InChIKey is VXMAFJPZUARVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-20-16(19)11-17(13-7-5-6-8-13)15(18)12-21-14-9-3-2-4-10-14/h2-4,9-10,13H,5-8,11-12H2,1H3.
What are the key properties of methyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate?
methyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate has a molecular weight of 307.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate is sourced from PubChem (CID 80718069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).