(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide

C17H18N2O4S2 — CID 30390345

IUPAC(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C17H18N2O4S2/c1-23-16-8-7-14(25(21,22)19-12-4-5-12)11-15(16)18-17(20)9-6-13-3-2-10-24-13/h2-3,6-12,19H,4-5H2,1H3,(H,18,20)/b9-6+
InChIKeyIMMKADYYPCMPHB-RMKNXTFCSA-N
MW378.48 g/mol
LogP2.85
Rot. Bonds7

About (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 30390345) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID30390345
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC Name(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C17H18N2O4S2/c1-23-16-8-7-14(25(21,22)19-12-4-5-12)11-15(16)18-17(20)9-6-13-3-2-10-24-13/h2-3,6-12,19H,4-5H2,1H3,(H,18,20)/b9-6+
InChIKeyIMMKADYYPCMPHB-RMKNXTFCSA-N
XLogP2.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
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-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 33160805
(E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 9081709
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
CID 4810921
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-2-ylacetamide
CID 33159236
(E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 6235648
(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 30390267
(E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 887907
1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea
CID 55698704
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
N-cyclopropyl-4-methoxy-3-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzenesulfonamide
CID 31417881
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 33159226

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide (CID 30390345) is (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is IMMKADYYPCMPHB-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-23-16-8-7-14(25(21,22)19-12-4-5-12)11-15(16)18-17(20)9-6-13-3-2-10-24-13/h2-3,6-12,19H,4-5H2,1H3,(H,18,20)/b9-6+.
What are the key properties of (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 378.48 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 30390345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).