N-[2-(ethylaminomethyl)phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C17H25N3O3S — CID 119440673

IUPACN-[2-(ethylaminomethyl)phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCCNCc1ccccc1NC(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C17H25N3O3S/c1-2-18-11-14-5-3-4-6-15(14)19-16(21)12-24-13-17(22)20-7-9-23-10-8-20/h3-6,18H,2,7-13H2,1H3,(H,19,21)
InChIKeySNUFFCXHXOOTSS-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.33
Rot. Bonds8

About N-[2-(ethylaminomethyl)phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-[2-(ethylaminomethyl)phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 119440673) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID119440673
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCCNCc1ccccc1NC(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C17H25N3O3S/c1-2-18-11-14-5-3-4-6-15(14)19-16(21)12-24-13-17(22)20-7-9-23-10-8-20/h3-6,18H,2,7-13H2,1H3,(H,19,21)
InChIKeySNUFFCXHXOOTSS-UHFFFAOYSA-N
XLogP1.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
CID 119440803
N-[2-(ethylaminomethyl)phenyl]-2-(oxan-4-yl)acetamide
CID 119440769
N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 119618971
N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 8892824
2-[2-[2-(methylaminomethyl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569724
N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 119438694
N-[(5-ethylthiophen-2-yl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 47888416
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2158825
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439603
N-(2,2-dimethyl-1-phenylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60568639
N-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 119440254
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439602

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 119440673) is N-[2-(ethylaminomethyl)phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is CCNCc1ccccc1NC(=O)CSCC(=O)N1CCOCC1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is SNUFFCXHXOOTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-2-18-11-14-5-3-4-6-15(14)19-16(21)12-24-13-17(22)20-7-9-23-10-8-20/h3-6,18H,2,7-13H2,1H3,(H,19,21).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-[2-(ethylaminomethyl)phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 351.47 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 119440673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).