N-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide

C16H24N2O2S — CID 24840182

IUPACN-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide
SMILESCCSc1ccc(C(C)NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-3-21-15-6-4-14(5-7-15)13(2)17-16(19)12-18-8-10-20-11-9-18/h4-7,13H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyKLHVIUBCPNJYSR-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.31
Rot. Bonds6

About N-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide

N-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide (PubChem CID 24840182) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide
PubChem CID24840182
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide
SMILESCCSc1ccc(C(C)NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-3-21-15-6-4-14(5-7-15)13(2)17-16(19)12-18-8-10-20-11-9-18/h4-7,13H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyKLHVIUBCPNJYSR-UHFFFAOYSA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 2534176
2-morpholin-4-yl-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 8903869
3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide
CID 119318049
2-[7-(carboxymethyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]-10-[2-[[2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 122380737
N-butan-2-yl-2-[4-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 86923605
N-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide
CID 95296945
N-[1-(4-chlorophenyl)ethyl]-2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)acetamide
CID 139009077
N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 86916143
N-[(1S)-1-naphthalen-2-ylethyl]-2-[4,7,10-tris[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 102115111
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 94437235
N-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119774161
N-[1-(4-ethylphenyl)ethyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 18086328

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide (CID 24840182) is N-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide is CCSc1ccc(C(C)NC(=O)CN2CCOCC2)cc1.
What is the InChIKey of N-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide?
The InChIKey is KLHVIUBCPNJYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-3-21-15-6-4-14(5-7-15)13(2)17-16(19)12-18-8-10-20-11-9-18/h4-7,13H,3,8-12H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide?
N-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide has a molecular weight of 308.45 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 24840182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).