N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiomorpholin-3-ylacetamide

C19H29N3O2S — CID 119941216

IUPACN-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1cccc(C(CNC(=O)CC2CSCCN2)N2CCOCC2)c1
InChIInChI=1S/C19H29N3O2S/c1-15-3-2-4-16(11-15)18(22-6-8-24-9-7-22)13-21-19(23)12-17-14-25-10-5-20-17/h2-4,11,17-18,20H,5-10,12-14H2,1H3,(H,21,23)
InChIKeySIVVEXYWTONXRP-UHFFFAOYSA-N
MW363.53 g/mol
LogP1.58
Rot. Bonds6

About N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiomorpholin-3-ylacetamide

N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119941216) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119941216
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC NameN-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1cccc(C(CNC(=O)CC2CSCCN2)N2CCOCC2)c1
InChIInChI=1S/C19H29N3O2S/c1-15-3-2-4-16(11-15)18(22-6-8-24-9-7-22)13-21-19(23)12-17-14-25-10-5-20-17/h2-4,11,17-18,20H,5-10,12-14H2,1H3,(H,21,23)
InChIKeySIVVEXYWTONXRP-UHFFFAOYSA-N
XLogP1.58
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 154856473
2-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112506492
N-[2-(3-methylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937610
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide
CID 110623787
(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119849719
1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 110304148
3-(furan-2-yl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 110304126
4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
CID 95143165
3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119849677
2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 110304123
3-bromo-N-[2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
CID 55659969

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiomorpholin-3-ylacetamide (CID 119941216) is N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiomorpholin-3-ylacetamide is Cc1cccc(C(CNC(=O)CC2CSCCN2)N2CCOCC2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is SIVVEXYWTONXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-15-3-2-4-16(11-15)18(22-6-8-24-9-7-22)13-21-19(23)12-17-14-25-10-5-20-17/h2-4,11,17-18,20H,5-10,12-14H2,1H3,(H,21,23).
What are the key properties of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 363.53 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119941216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).