3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-propylindol-5-yl)prop-2-enamide

C24H27N3O4S — CID 76878750

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-propylindol-5-yl)prop-2-enamide
SMILESCCCn1ccc2cc(NC(=O)C=Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21
InChIInChI=1S/C24H27N3O4S/c1-2-12-26-13-11-20-18-21(6-9-23(20)26)25-24(28)10-5-19-3-7-22(8-4-19)32(29,30)27-14-16-31-17-15-27/h3-11,13,18H,2,12,14-17H2,1H3,(H,25,28)
InChIKeySODNUUUIUWQDDT-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.72
Rot. Bonds7

About 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-propylindol-5-yl)prop-2-enamide

3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-propylindol-5-yl)prop-2-enamide (PubChem CID 76878750) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-propylindol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-propylindol-5-yl)prop-2-enamide
PubChem CID76878750
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-propylindol-5-yl)prop-2-enamide
SMILESCCCn1ccc2cc(NC(=O)C=Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21
InChIInChI=1S/C24H27N3O4S/c1-2-12-26-13-11-20-18-21(6-9-23(20)26)25-24(28)10-5-19-3-7-22(8-4-19)32(29,30)27-14-16-31-17-15-27/h3-11,13,18H,2,12,14-17H2,1H3,(H,25,28)
InChIKeySODNUUUIUWQDDT-UHFFFAOYSA-N
XLogP3.72
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2664919
N-(4-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71904513
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 2139660
(E)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 1108163
N-(4-morpholin-4-ylsulfonylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 1108162
N-butyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 78780527
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 2330677
(E)-N-(2-ethyl-6-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2665542
(E)-N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2600144
(E)-N-(2,5-difluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2386809
N-(3-methylbutyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 78288601
N-(2-chloro-4,6-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 3929869

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-propylindol-5-yl)prop-2-enamide?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-propylindol-5-yl)prop-2-enamide (CID 76878750) is 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-propylindol-5-yl)prop-2-enamide.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-propylindol-5-yl)prop-2-enamide?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-propylindol-5-yl)prop-2-enamide is CCCn1ccc2cc(NC(=O)C=Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-propylindol-5-yl)prop-2-enamide?
The InChIKey is SODNUUUIUWQDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-2-12-26-13-11-20-18-21(6-9-23(20)26)25-24(28)10-5-19-3-7-22(8-4-19)32(29,30)27-14-16-31-17-15-27/h3-11,13,18H,2,12,14-17H2,1H3,(H,25,28).
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-propylindol-5-yl)prop-2-enamide?
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-propylindol-5-yl)prop-2-enamide has a molecular weight of 453.56 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-propylindol-5-yl)prop-2-enamide is sourced from PubChem (CID 76878750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).