ethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate

C14H19NO4S — CID 61384357

IUPACethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCCOC(=O)CN(C1CC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO4S/c1-3-19-14(16)10-15(12-6-7-12)20(17,18)13-8-4-11(2)5-9-13/h4-5,8-9,12H,3,6-7,10H2,1-2H3
InChIKeyLIVMGRIXZGEDFZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.71
Rot. Bonds6

About ethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate

ethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate (PubChem CID 61384357) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate
PubChem CID61384357
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Nameethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCCOC(=O)CN(C1CC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO4S/c1-3-19-14(16)10-15(12-6-7-12)20(17,18)13-8-4-11(2)5-9-13/h4-5,8-9,12H,3,6-7,10H2,1-2H3
InChIKeyLIVMGRIXZGEDFZ-UHFFFAOYSA-N
XLogP1.71
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
CID 2095447
ethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate
CID 104710366
ethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate
CID 42874720
ethyl 2-[butyl-(4-methylphenyl)sulfonylamino]acetate
CID 131719040
ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate
CID 61045378
2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid
CID 54945155
ethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate
CID 79930307
2-[(4-methylphenyl)sulfonyl-piperidin-3-ylamino]acetamide
CID 60800520
ethyl 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetate
CID 11587455
ethyl 2-[cyclopropyl-[3-(4-methylphenyl)prop-2-enoyl]amino]acetate
CID 76903584
ethyl 2-[cyclopropyl(methylsulfonylmethylsulfonyl)amino]acetate
CID 82842680
ethyl 2-[cyclopropyl(2-hydroxyethylsulfonyl)amino]acetate
CID 79589738

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate (CID 61384357) is ethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate is CCOC(=O)CN(C1CC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is LIVMGRIXZGEDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-3-19-14(16)10-15(12-6-7-12)20(17,18)13-8-4-11(2)5-9-13/h4-5,8-9,12H,3,6-7,10H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate?
ethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 297.38 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 61384357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).