3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide

C20H23N3O4S — CID 4611586

IUPAC3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide
SMILESCCC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C20H23N3O4S/c1-2-19(16-7-4-3-5-8-16)21-22-20(24)17-9-6-10-18(15-17)28(25,26)23-11-13-27-14-12-23/h3-10,15H,2,11-14H2,1H3,(H,22,24)
InChIKeyJOVRAXLZIQMQHL-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.25
Rot. Bonds6

About 3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide

3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide (PubChem CID 4611586) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide
PubChem CID4611586
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide
SMILESCCC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C20H23N3O4S/c1-2-19(16-7-4-3-5-8-16)21-22-20(24)17-9-6-10-18(15-17)28(25,26)23-11-13-27-14-12-23/h3-10,15H,2,11-14H2,1H3,(H,22,24)
InChIKeyJOVRAXLZIQMQHL-UHFFFAOYSA-N
XLogP2.25
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 9061106
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 135755195
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide
CID 9061071
N-[(2R)-2-hydroxy-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 1256857
3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 17016191
N'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 9479543
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 8936210
N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
CID 9061003
3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide (CID 4611586) is 3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide is CCC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide?
The InChIKey is JOVRAXLZIQMQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-2-19(16-7-4-3-5-8-16)21-22-20(24)17-9-6-10-18(15-17)28(25,26)23-11-13-27-14-12-23/h3-10,15H,2,11-14H2,1H3,(H,22,24).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide?
3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide has a molecular weight of 401.49 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide is sourced from PubChem (CID 4611586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).