ethyl 2-[(3-methoxyphenyl)sulfonyl-propan-2-ylamino]acetate

C14H21NO5S — CID 81265540

IUPACethyl 2-[(3-methoxyphenyl)sulfonyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C14H21NO5S/c1-5-20-14(16)10-15(11(2)3)21(17,18)13-8-6-7-12(9-13)19-4/h6-9,11H,5,10H2,1-4H3
InChIKeyHNZZPRFWOPPGDQ-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.66
Rot. Bonds7

About ethyl 2-[(3-methoxyphenyl)sulfonyl-propan-2-ylamino]acetate

ethyl 2-[(3-methoxyphenyl)sulfonyl-propan-2-ylamino]acetate (PubChem CID 81265540) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is ethyl 2-[(3-methoxyphenyl)sulfonyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-methoxyphenyl)sulfonyl-propan-2-ylamino]acetate
PubChem CID81265540
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Nameethyl 2-[(3-methoxyphenyl)sulfonyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C14H21NO5S/c1-5-20-14(16)10-15(11(2)3)21(17,18)13-8-6-7-12(9-13)19-4/h6-9,11H,5,10H2,1-4H3
InChIKeyHNZZPRFWOPPGDQ-UHFFFAOYSA-N
XLogP1.66
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methoxyphenyl)sulfonyl-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(3-methoxyphenyl)sulfonyl-propan-2-ylamino]acetate (CID 81265540) is ethyl 2-[(3-methoxyphenyl)sulfonyl-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-methoxyphenyl)sulfonyl-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(3-methoxyphenyl)sulfonyl-propan-2-ylamino]acetate is CCOC(=O)CN(C(C)C)S(=O)(=O)c1cccc(OC)c1.
What is the InChIKey of ethyl 2-[(3-methoxyphenyl)sulfonyl-propan-2-ylamino]acetate?
The InChIKey is HNZZPRFWOPPGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-5-20-14(16)10-15(11(2)3)21(17,18)13-8-6-7-12(9-13)19-4/h6-9,11H,5,10H2,1-4H3.
What are the key properties of ethyl 2-[(3-methoxyphenyl)sulfonyl-propan-2-ylamino]acetate?
ethyl 2-[(3-methoxyphenyl)sulfonyl-propan-2-ylamino]acetate has a molecular weight of 315.39 g/mol, XLogP of 1.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methoxyphenyl)sulfonyl-propan-2-ylamino]acetate is sourced from PubChem (CID 81265540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).