2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide

C16H19ClN2O5S — CID 113066480

IUPAC2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide
SMILESCS(=O)(=O)N(CCNC(=O)COc1ccc(Cl)cc1)Cc1ccco1
InChIInChI=1S/C16H19ClN2O5S/c1-25(21,22)19(11-15-3-2-10-23-15)9-8-18-16(20)12-24-14-6-4-13(17)5-7-14/h2-7,10H,8-9,11-12H2,1H3,(H,18,20)
InChIKeyMZYOIPFREYDUDX-UHFFFAOYSA-N
MW386.86 g/mol
LogP1.89
Rot. Bonds9

About 2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide (PubChem CID 113066480) has the molecular formula C16H19ClN2O5S and a molecular weight of 386.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide
PubChem CID113066480
Molecular FormulaC16H19ClN2O5S
Molecular Weight386.86 g/mol
Exact Mass386.07
IUPAC Name2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide
SMILESCS(=O)(=O)N(CCNC(=O)COc1ccc(Cl)cc1)Cc1ccco1
InChIInChI=1S/C16H19ClN2O5S/c1-25(21,22)19(11-15-3-2-10-23-15)9-8-18-16(20)12-24-14-6-4-13(17)5-7-14/h2-7,10H,8-9,11-12H2,1H3,(H,18,20)
InChIKeyMZYOIPFREYDUDX-UHFFFAOYSA-N
XLogP1.89
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide
CID 113067274
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(furan-2-ylmethyl)acetamide
CID 30129755
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113138491
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
CID 113066570
2-ethyl-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]butanamide
CID 113066453
N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066497
N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide
CID 113067176
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide
CID 113138485
N-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138558
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide
CID 113138509
N-[2-(furan-2-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110733528
N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113066450

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide (CID 113066480) is 2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide is CS(=O)(=O)N(CCNC(=O)COc1ccc(Cl)cc1)Cc1ccco1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide?
The InChIKey is MZYOIPFREYDUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O5S/c1-25(21,22)19(11-15-3-2-10-23-15)9-8-18-16(20)12-24-14-6-4-13(17)5-7-14/h2-7,10H,8-9,11-12H2,1H3,(H,18,20).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide has a molecular weight of 386.86 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide is sourced from PubChem (CID 113066480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).