ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate

C15H24N2O5S — CID 113067706

IUPACethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate
SMILESCCOC(=O)NCCN(CCc1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O5S/c1-4-22-15(18)16-9-11-17(23(3,19)20)10-8-13-6-5-7-14(12-13)21-2/h5-7,12H,4,8-11H2,1-3H3,(H,16,18)
InChIKeyJWKBBCRYIKQADU-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.25
Rot. Bonds9

About ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate

ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate (PubChem CID 113067706) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate
PubChem CID113067706
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Nameethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate
SMILESCCOC(=O)NCCN(CCc1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O5S/c1-4-22-15(18)16-9-11-17(23(3,19)20)10-8-13-6-5-7-14(12-13)21-2/h5-7,12H,4,8-11H2,1-3H3,(H,16,18)
InChIKeyJWKBBCRYIKQADU-UHFFFAOYSA-N
XLogP1.25
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate
CID 113068392
N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide
CID 113067686
ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate
CID 113066591
N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152206
3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide
CID 113140448
2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide
CID 113152184
N-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152245
N-(3-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152244
3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066070
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113066241
N-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148476
3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066703

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate (CID 113067706) is ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate is CCOC(=O)NCCN(CCc1cccc(OC)c1)S(C)(=O)=O.
What is the InChIKey of ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate?
The InChIKey is JWKBBCRYIKQADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-4-22-15(18)16-9-11-17(23(3,19)20)10-8-13-6-5-7-14(12-13)21-2/h5-7,12H,4,8-11H2,1-3H3,(H,16,18).
What are the key properties of ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate?
ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate has a molecular weight of 344.43 g/mol, XLogP of 1.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate is sourced from PubChem (CID 113067706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).