3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide

C15H17N3O4S2 — CID 55526444

IUPAC3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCNS(=O)(=O)c1cc(C=CC(=O)Nc2ncc(C)s2)ccc1OC
InChIInChI=1S/C15H17N3O4S2/c1-10-9-17-15(23-10)18-14(19)7-5-11-4-6-12(22-3)13(8-11)24(20,21)16-2/h4-9,16H,1-3H3,(H,17,18,19)
InChIKeyHMFABNVCOUEQCH-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.02
Rot. Bonds6

About 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide

3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 55526444) has the molecular formula C15H17N3O4S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID55526444
Molecular FormulaC15H17N3O4S2
Molecular Weight367.45 g/mol
Exact Mass367.07
IUPAC Name3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCNS(=O)(=O)c1cc(C=CC(=O)Nc2ncc(C)s2)ccc1OC
InChIInChI=1S/C15H17N3O4S2/c1-10-9-17-15(23-10)18-14(19)7-5-11-4-6-12(22-3)13(8-11)24(20,21)16-2/h4-9,16H,1-3H3,(H,17,18,19)
InChIKeyHMFABNVCOUEQCH-UHFFFAOYSA-N
XLogP2.02
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 73423480
(E)-3-(4-butoxy-3-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 26197747
3-(3-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 4800856
(E)-3-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 31494703
(E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 39498249
(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 8893657
3-(1,3-benzodioxol-5-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 4012509
3-[3-[[(Z)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoyl]amino]phenoxy]propanamide
CID 97435163
3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
CID 55964280
(E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide
CID 55465438
(E)-N-(3-ethoxypropyl)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide
CID 46798919
3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]prop-2-enamide
CID 78794176

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide (CID 55526444) is 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide is CNS(=O)(=O)c1cc(C=CC(=O)Nc2ncc(C)s2)ccc1OC.
What is the InChIKey of 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is HMFABNVCOUEQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S2/c1-10-9-17-15(23-10)18-14(19)7-5-11-4-6-12(22-3)13(8-11)24(20,21)16-2/h4-9,16H,1-3H3,(H,17,18,19).
What are the key properties of 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide?
3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 367.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 55526444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).