4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide

C19H20N2O3S — CID 78892234

IUPAC4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCSc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H20N2O3S/c1-25-17-8-4-14(5-9-17)18(22)20-16-6-2-15(3-7-16)19(23)21-10-12-24-13-11-21/h2-9H,10-13H2,1H3,(H,20,22)
InChIKeyKEZJFCSQFVAFLG-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.13
Rot. Bonds4

About 4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide

4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide (PubChem CID 78892234) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
PubChem CID78892234
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCSc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H20N2O3S/c1-25-17-8-4-14(5-9-17)18(22)20-16-6-2-15(3-7-16)19(23)21-10-12-24-13-11-21/h2-9H,10-13H2,1H3,(H,20,22)
InChIKeyKEZJFCSQFVAFLG-UHFFFAOYSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 49188791
2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide
CID 155647773
N-(3-acetamidophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045524
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17194765
N-ethyl-4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839441
4-chloro-N-(4-methylsulfanylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26725964
2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide
CID 131911219
N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867
N-(4-iodophenyl)-4-methylsulfanylbenzamide
CID 8571979
N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 78892378
4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 43980966

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide (CID 78892234) is 4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide is CSc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
The InChIKey is KEZJFCSQFVAFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-25-17-8-4-14(5-9-17)18(22)20-16-6-2-15(3-7-16)19(23)21-10-12-24-13-11-21/h2-9H,10-13H2,1H3,(H,20,22).
What are the key properties of 4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide has a molecular weight of 356.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 78892234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).