(E)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide

C17H15N3O4S2 — CID 1144784

IUPAC(E)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)no1
InChIInChI=1S/C17H15N3O4S2/c1-12-11-16(19-24-12)20-26(22,23)15-7-4-13(5-8-15)18-17(21)9-6-14-3-2-10-25-14/h2-11H,1H3,(H,18,21)(H,19,20)/b9-6+
InChIKeyKZURJJRRPCEASN-RMKNXTFCSA-N
MW389.46 g/mol
LogP3.50
Rot. Bonds6

About (E)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 1144784) has the molecular formula C17H15N3O4S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is (E)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID1144784
Molecular FormulaC17H15N3O4S2
Molecular Weight389.46 g/mol
Exact Mass389.05
IUPAC Name(E)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)no1
InChIInChI=1S/C17H15N3O4S2/c1-12-11-16(19-24-12)20-26(22,23)15-7-4-13(5-8-15)18-17(21)9-6-14-3-2-10-25-14/h2-11H,1H3,(H,18,21)(H,19,20)/b9-6+
InChIKeyKZURJJRRPCEASN-RMKNXTFCSA-N
XLogP3.50
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.50
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

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3385945
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide
CID 4194050
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]decanamide
CID 19578382
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 503706
3-(furan-2-yl)-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
CID 3097481
(E)-N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 6234180
N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 4934153
N-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 6832228
(E)-3-(4-hexoxy-3-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]prop-2-enamide
CID 19185149
(E)-3-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide
CID 9474835
N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
CID 2730721

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide (CID 1144784) is (E)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)no1.
What is the InChIKey of (E)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is KZURJJRRPCEASN-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H15N3O4S2/c1-12-11-16(19-24-12)20-26(22,23)15-7-4-13(5-8-15)18-17(21)9-6-14-3-2-10-25-14/h2-11H,1H3,(H,18,21)(H,19,20)/b9-6+.
What are the key properties of (E)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 389.46 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 1144784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).