N-[3-[5-(thiomorpholine-4-carbonyl)naphthalen-1-yl]phenyl]acetamide

C23H22N2O2S — CID 172664306

IUPACN-[3-[5-(thiomorpholine-4-carbonyl)naphthalen-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cccc3c(C(=O)N4CCSCC4)cccc23)c1
InChIInChI=1S/C23H22N2O2S/c1-16(26)24-18-6-2-5-17(15-18)19-7-3-9-21-20(19)8-4-10-22(21)23(27)25-11-13-28-14-12-25/h2-10,15H,11-14H2,1H3,(H,24,26)
InChIKeyARDQBPLVJSQLHV-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.65
Rot. Bonds3

About N-[3-[5-(thiomorpholine-4-carbonyl)naphthalen-1-yl]phenyl]acetamide

N-[3-[5-(thiomorpholine-4-carbonyl)naphthalen-1-yl]phenyl]acetamide (PubChem CID 172664306) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[3-[5-(thiomorpholine-4-carbonyl)naphthalen-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-(thiomorpholine-4-carbonyl)naphthalen-1-yl]phenyl]acetamide
PubChem CID172664306
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-[3-[5-(thiomorpholine-4-carbonyl)naphthalen-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cccc3c(C(=O)N4CCSCC4)cccc23)c1
InChIInChI=1S/C23H22N2O2S/c1-16(26)24-18-6-2-5-17(15-18)19-7-3-9-21-20(19)8-4-10-22(21)23(27)25-11-13-28-14-12-25/h2-10,15H,11-14H2,1H3,(H,24,26)
InChIKeyARDQBPLVJSQLHV-UHFFFAOYSA-N
XLogP4.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
(2-phenylphenyl)-thiomorpholin-4-ylmethanone
CID 47227510
(2,3-dimethyl-1H-indol-7-yl)-thiomorpholin-4-ylmethanone
CID 87019766
N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110365637
2-(thiomorpholine-4-carbonyl)benzoic acid
CID 14298712
2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119309623
(3-amino-2-methylphenyl)-thiomorpholin-4-ylmethanone
CID 28786513
(3-iodo-2-methylphenyl)-thiomorpholin-4-ylmethanone
CID 71918877
3-(3-acetamidophenyl)pyridine-4-carboxylic acid
CID 53223642
2-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223643
2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 119309628
(2-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 2804981

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(thiomorpholine-4-carbonyl)naphthalen-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-(thiomorpholine-4-carbonyl)naphthalen-1-yl]phenyl]acetamide (CID 172664306) is N-[3-[5-(thiomorpholine-4-carbonyl)naphthalen-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-(thiomorpholine-4-carbonyl)naphthalen-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-(thiomorpholine-4-carbonyl)naphthalen-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cccc3c(C(=O)N4CCSCC4)cccc23)c1.
What is the InChIKey of N-[3-[5-(thiomorpholine-4-carbonyl)naphthalen-1-yl]phenyl]acetamide?
The InChIKey is ARDQBPLVJSQLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-16(26)24-18-6-2-5-17(15-18)19-7-3-9-21-20(19)8-4-10-22(21)23(27)25-11-13-28-14-12-25/h2-10,15H,11-14H2,1H3,(H,24,26).
What are the key properties of N-[3-[5-(thiomorpholine-4-carbonyl)naphthalen-1-yl]phenyl]acetamide?
N-[3-[5-(thiomorpholine-4-carbonyl)naphthalen-1-yl]phenyl]acetamide has a molecular weight of 390.51 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(thiomorpholine-4-carbonyl)naphthalen-1-yl]phenyl]acetamide is sourced from PubChem (CID 172664306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).