N-(2-methylpropyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide

C18H20N2O2S — CID 18089963

IUPACN-(2-methylpropyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C18H20N2O2S/c1-13(2)12-19-18(22)15-7-3-4-8-16(15)20-17(21)10-9-14-6-5-11-23-14/h3-11,13H,12H2,1-2H3,(H,19,22)(H,20,21)/b10-9+
InChIKeyUQEANEDXNNPDPB-MDZDMXLPSA-N
MW328.44 g/mol
LogP3.79
Rot. Bonds6

About N-(2-methylpropyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide

N-(2-methylpropyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide (PubChem CID 18089963) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
PubChem CID18089963
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(2-methylpropyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C18H20N2O2S/c1-13(2)12-19-18(22)15-7-3-4-8-16(15)20-17(21)10-9-14-6-5-11-23-14/h3-11,13H,12H2,1-2H3,(H,19,22)(H,20,21)/b10-9+
InChIKeyUQEANEDXNNPDPB-MDZDMXLPSA-N
XLogP3.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.79
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

N-benzyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 6233590
N-(3-amino-3-oxopropyl)-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 97464350
2-(3-thiophen-2-ylprop-2-enoylamino)benzoic acid
CID 3063368
N-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 6234508
N-ethyl-2-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)benzamide
CID 4949616
(E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 874188
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472
N-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide
CID 17354102
N-(2-methylpropyl)-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 37003737
N-(1,3-benzodioxol-5-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 8934605
(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 6234930
2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-(2-methylpropyl)benzamide
CID 3876341

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide?
The IUPAC name of N-(2-methylpropyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide (CID 18089963) is N-(2-methylpropyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide?
The canonical SMILES for N-(2-methylpropyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)/C=C/c1cccs1.
What is the InChIKey of N-(2-methylpropyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide?
The InChIKey is UQEANEDXNNPDPB-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13(2)12-19-18(22)15-7-3-4-8-16(15)20-17(21)10-9-14-6-5-11-23-14/h3-11,13H,12H2,1-2H3,(H,19,22)(H,20,21)/b10-9+.
What are the key properties of N-(2-methylpropyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide?
N-(2-methylpropyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide has a molecular weight of 328.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide is sourced from PubChem (CID 18089963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).