N-[2-methyl-4-(1-phenylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide

C21H26N2O2S — CID 119938718

IUPACN-[2-methyl-4-(1-phenylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1cc(OC(C)c2ccccc2)ccc1NC(=O)CC1CSCCN1
InChIInChI=1S/C21H26N2O2S/c1-15-12-19(25-16(2)17-6-4-3-5-7-17)8-9-20(15)23-21(24)13-18-14-26-11-10-22-18/h3-9,12,16,18,22H,10-11,13-14H2,1-2H3,(H,23,24)
InChIKeyQCBJLZMHCWVEEV-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.17
Rot. Bonds6

About N-[2-methyl-4-(1-phenylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide

N-[2-methyl-4-(1-phenylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119938718) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[2-methyl-4-(1-phenylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-methyl-4-(1-phenylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119938718
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-[2-methyl-4-(1-phenylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1cc(OC(C)c2ccccc2)ccc1NC(=O)CC1CSCCN1
InChIInChI=1S/C21H26N2O2S/c1-15-12-19(25-16(2)17-6-4-3-5-7-17)8-9-20(15)23-21(24)13-18-14-26-11-10-22-18/h3-9,12,16,18,22H,10-11,13-14H2,1-2H3,(H,23,24)
InChIKeyQCBJLZMHCWVEEV-UHFFFAOYSA-N
XLogP4.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 115411406
N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936153
N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420261
(2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]piperidine-4-carboxamide
CID 120630841
N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935410
N-(2-propan-2-yloxy-3-pyridinyl)-2-thiomorpholin-3-ylacetamide
CID 66422480
N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]-2-[(3R)-thiomorpholin-3-yl]acetamide
CID 99850149
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid
CID 66422867
N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 66420040
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938453
methyl 3-(difluoromethoxy)-4-[(2-thiomorpholin-3-ylacetyl)amino]benzoate
CID 119939096
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939438

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(1-phenylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-methyl-4-(1-phenylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide (CID 119938718) is N-[2-methyl-4-(1-phenylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-methyl-4-(1-phenylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-methyl-4-(1-phenylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide is Cc1cc(OC(C)c2ccccc2)ccc1NC(=O)CC1CSCCN1.
What is the InChIKey of N-[2-methyl-4-(1-phenylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is QCBJLZMHCWVEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-15-12-19(25-16(2)17-6-4-3-5-7-17)8-9-20(15)23-21(24)13-18-14-26-11-10-22-18/h3-9,12,16,18,22H,10-11,13-14H2,1-2H3,(H,23,24).
What are the key properties of N-[2-methyl-4-(1-phenylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide?
N-[2-methyl-4-(1-phenylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 370.52 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(1-phenylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119938718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).