(E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide

C20H22N2O3S — CID 30308521

IUPAC(E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide
SMILESCNS(=O)(=O)c1ccc(/C=C/C(=O)NCC2(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O3S/c1-21-26(24,25)18-10-7-16(8-11-18)9-12-19(23)22-15-20(13-14-20)17-5-3-2-4-6-17/h2-12,21H,13-15H2,1H3,(H,22,23)/b12-9+
InChIKeyGRURTFUKBHXTKS-FMIVXFBMSA-N
MW370.47 g/mol
LogP2.46
Rot. Bonds7

About (E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide

(E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide (PubChem CID 30308521) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is (E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide
PubChem CID30308521
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name(E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide
SMILESCNS(=O)(=O)c1ccc(/C=C/C(=O)NCC2(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O3S/c1-21-26(24,25)18-10-7-16(8-11-18)9-12-19(23)22-15-20(13-14-20)17-5-3-2-4-6-17/h2-12,21H,13-15H2,1H3,(H,22,23)/b12-9+
InChIKeyGRURTFUKBHXTKS-FMIVXFBMSA-N
XLogP2.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide
CID 51280623
(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
CID 5399176
N-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1308572
3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclohexyl)methyl]propanamide
CID 32545458
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide
CID 30664702
(Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide
CID 98448468
3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide
CID 71961166
(E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide
CID 110477964
(E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide
CID 24614536
(E)-N-[(4-chlorophenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 25296226
(E)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-phenylprop-2-enamide
CID 60576380
(E)-N-[2-(3-chlorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 34406222

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide (CID 30308521) is (E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide is CNS(=O)(=O)c1ccc(/C=C/C(=O)NCC2(c3ccccc3)CC2)cc1.
What is the InChIKey of (E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide?
The InChIKey is GRURTFUKBHXTKS-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-21-26(24,25)18-10-7-16(8-11-18)9-12-19(23)22-15-20(13-14-20)17-5-3-2-4-6-17/h2-12,21H,13-15H2,1H3,(H,22,23)/b12-9+.
What are the key properties of (E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide?
(E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide has a molecular weight of 370.47 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide is sourced from PubChem (CID 30308521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).