3-(4-methylphenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide

C24H29N3O5S — CID 4620273

IUPAC3-(4-methylphenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1
InChIInChI=1S/C24H29N3O5S/c1-19-2-4-20(5-3-19)6-9-24(28)25-22-18-21(33(29,30)27-12-16-32-17-13-27)7-8-23(22)26-10-14-31-15-11-26/h2-9,18H,10-17H2,1H3,(H,25,28)
InChIKeyVPAWZXIQFBADDY-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.50
Rot. Bonds6

About 3-(4-methylphenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide

3-(4-methylphenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 4620273) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID4620273
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name3-(4-methylphenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1
InChIInChI=1S/C24H29N3O5S/c1-19-2-4-20(5-3-19)6-9-24(28)25-22-18-21(33(29,30)27-12-16-32-17-13-27)7-8-23(22)26-10-14-31-15-11-26/h2-9,18H,10-17H2,1H3,(H,25,28)
InChIKeyVPAWZXIQFBADDY-UHFFFAOYSA-N
XLogP2.50
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2600144
(E)-N-(4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2664919
methyl 3-[[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]-4-pyrrolidin-1-ylbenzoate
CID 55516644
3-(2-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 3529783
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 24585839
(E)-N-[2-(azepan-1-yl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 24652753
(2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
CID 18287293
(E)-3-(4-aminophenyl)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 84552557
(E)-N-(5-fluoro-2-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2485069
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide
CID 4797773
(E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide
CID 55736429
(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 7733249

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of 3-(4-methylphenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 4620273) is 3-(4-methylphenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide is Cc1ccc(C=CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is VPAWZXIQFBADDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-19-2-4-20(5-3-19)6-9-24(28)25-22-18-21(33(29,30)27-12-16-32-17-13-27)7-8-23(22)26-10-14-31-15-11-26/h2-9,18H,10-17H2,1H3,(H,25,28).
What are the key properties of 3-(4-methylphenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
3-(4-methylphenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 471.58 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 4620273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).