N-[3-(2-morpholin-4-yl-2-sulfanylideneethyl)phenyl]benzamide

C19H20N2O2S — CID 700879

IUPACN-[3-(2-morpholin-4-yl-2-sulfanylideneethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CC(=S)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C19H20N2O2S/c22-19(16-6-2-1-3-7-16)20-17-8-4-5-15(13-17)14-18(24)21-9-11-23-12-10-21/h1-8,13H,9-12,14H2,(H,20,22)
InChIKeyPNXRLBCXNKZXNH-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.14
Rot. Bonds4

About N-[3-(2-morpholin-4-yl-2-sulfanylideneethyl)phenyl]benzamide

N-[3-(2-morpholin-4-yl-2-sulfanylideneethyl)phenyl]benzamide (PubChem CID 700879) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[3-(2-morpholin-4-yl-2-sulfanylideneethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(2-morpholin-4-yl-2-sulfanylideneethyl)phenyl]benzamide
PubChem CID700879
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[3-(2-morpholin-4-yl-2-sulfanylideneethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CC(=S)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C19H20N2O2S/c22-19(16-6-2-1-3-7-16)20-17-8-4-5-15(13-17)14-18(24)21-9-11-23-12-10-21/h1-8,13H,9-12,14H2,(H,20,22)
InChIKeyPNXRLBCXNKZXNH-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
N-[3-(morpholine-4-carbonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55748980
4-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205497
N-(3-acetamidophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045524
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 9252709
2-(benzylamino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54813737
N-[3-(morpholine-4-carbonyl)phenyl]-2-phenylmethoxybenzamide
CID 175178131
N-(3-acetylphenyl)morpholine-4-carbothioamide
CID 19653714
N-[3-(2-hydroxyethyl)phenyl]benzamide
CID 139896443
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide
CID 52751437
4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide
CID 31136249

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-morpholin-4-yl-2-sulfanylideneethyl)phenyl]benzamide?
The IUPAC name of N-[3-(2-morpholin-4-yl-2-sulfanylideneethyl)phenyl]benzamide (CID 700879) is N-[3-(2-morpholin-4-yl-2-sulfanylideneethyl)phenyl]benzamide.
What is the SMILES notation for N-[3-(2-morpholin-4-yl-2-sulfanylideneethyl)phenyl]benzamide?
The canonical SMILES for N-[3-(2-morpholin-4-yl-2-sulfanylideneethyl)phenyl]benzamide is O=C(Nc1cccc(CC(=S)N2CCOCC2)c1)c1ccccc1.
What is the InChIKey of N-[3-(2-morpholin-4-yl-2-sulfanylideneethyl)phenyl]benzamide?
The InChIKey is PNXRLBCXNKZXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-19(16-6-2-1-3-7-16)20-17-8-4-5-15(13-17)14-18(24)21-9-11-23-12-10-21/h1-8,13H,9-12,14H2,(H,20,22).
What are the key properties of N-[3-(2-morpholin-4-yl-2-sulfanylideneethyl)phenyl]benzamide?
N-[3-(2-morpholin-4-yl-2-sulfanylideneethyl)phenyl]benzamide has a molecular weight of 340.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-morpholin-4-yl-2-sulfanylideneethyl)phenyl]benzamide is sourced from PubChem (CID 700879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).