(E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide

C18H17N3O5S — CID 24582350

IUPAC(E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C18H17N3O5S/c22-18(11-8-13-4-1-2-7-17(13)21(23)24)19-15-5-3-6-16(12-15)27(25,26)20-14-9-10-14/h1-8,11-12,14,20H,9-10H2,(H,19,22)/b11-8+
InChIKeyPDVYJJUOARDZTR-DHZHZOJOSA-N
MW387.42 g/mol
LogP2.69
Rot. Bonds7

About (E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide

(E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 24582350) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is (E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide
PubChem CID24582350
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name(E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C18H17N3O5S/c22-18(11-8-13-4-1-2-7-17(13)21(23)24)19-15-5-3-6-16(12-15)27(25,26)20-14-9-10-14/h1-8,11-12,14,20H,9-10H2,(H,19,22)/b11-8+
InChIKeyPDVYJJUOARDZTR-DHZHZOJOSA-N
XLogP2.69
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-2-nitrobenzamide
CID 25498819
(E)-N-(3-methylsulfonylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide
CID 9072331
(E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 43019548
(E)-N-(4-hydroxycyclohexyl)-3-(2-nitrophenyl)prop-2-enamide
CID 43389284
N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 690173
(Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 2303612
(E)-3-(2-nitrophenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 46803009
N-[4-(butylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 2938761
(E)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 1307715
(E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 33310401
(E)-N-(2,6-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 51158962
(E)-3-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684287

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide (CID 24582350) is (E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of (E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is PDVYJJUOARDZTR-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H17N3O5S/c22-18(11-8-13-4-1-2-7-17(13)21(23)24)19-15-5-3-6-16(12-15)27(25,26)20-14-9-10-14/h1-8,11-12,14,20H,9-10H2,(H,19,22)/b11-8+.
What are the key properties of (E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide?
(E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 387.42 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 24582350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).