N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide

C19H21ClN2OS — CID 119937245

IUPACN-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2OS/c20-16-8-4-7-15(11-16)19(14-5-2-1-3-6-14)22-18(23)12-17-13-24-10-9-21-17/h1-8,11,17,19,21H,9-10,12-13H2,(H,22,23)
InChIKeyJCKFFEYLFYGCPS-UHFFFAOYSA-N
MW360.91 g/mol
LogP3.64
Rot. Bonds5

About N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide

N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119937245) has the molecular formula C19H21ClN2OS and a molecular weight of 360.91 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119937245
Molecular FormulaC19H21ClN2OS
Molecular Weight360.91 g/mol
Exact Mass360.11
IUPAC NameN-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2OS/c20-16-8-4-7-15(11-16)19(14-5-2-1-3-6-14)22-18(23)12-17-13-24-10-9-21-17/h1-8,11,17,19,21H,9-10,12-13H2,(H,22,23)
InChIKeyJCKFFEYLFYGCPS-UHFFFAOYSA-N
XLogP3.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480
N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935530
N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81375971
N-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide
CID 66421232
N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936283
1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586557
N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935410
N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936282
N-[oxolan-2-yl(phenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938079
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936053
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide (CID 119937245) is N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NC(c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is JCKFFEYLFYGCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2OS/c20-16-8-4-7-15(11-16)19(14-5-2-1-3-6-14)22-18(23)12-17-13-24-10-9-21-17/h1-8,11,17,19,21H,9-10,12-13H2,(H,22,23).
What are the key properties of N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide?
N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 360.91 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119937245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).