4-[[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]-N-methylbenzamide

C19H20N2O2S — CID 34180939

IUPAC4-[[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C(=O)/C=C/c2cccs2)C2CC2)cc1
InChIInChI=1S/C19H20N2O2S/c1-20-19(23)15-6-4-14(5-7-15)13-21(16-8-9-16)18(22)11-10-17-3-2-12-24-17/h2-7,10-12,16H,8-9,13H2,1H3,(H,20,23)/b11-10+
InChIKeyLGHCOWIOBJOXHO-ZHACJKMWSA-N
MW340.45 g/mol
LogP3.31
Rot. Bonds6

About 4-[[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]-N-methylbenzamide

4-[[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]-N-methylbenzamide (PubChem CID 34180939) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-[[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]-N-methylbenzamide
PubChem CID34180939
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name4-[[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C(=O)/C=C/c2cccs2)C2CC2)cc1
InChIInChI=1S/C19H20N2O2S/c1-20-19(23)15-6-4-14(5-7-15)13-21(16-8-9-16)18(22)11-10-17-3-2-12-24-17/h2-7,10-12,16H,8-9,13H2,1H3,(H,20,23)/b11-10+
InChIKeyLGHCOWIOBJOXHO-ZHACJKMWSA-N
XLogP3.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]acetic acid
CID 54945948
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
4-[3-[cyclopropyl(ethyl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 103597808
(E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 104974146
(E)-N-cyclopentyl-N-[[3-methoxy-4-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 26320462
N-cyclopropyl-5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33351813
N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]methyl]benzamide
CID 34179087
4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 8879645
4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide
CID 33351444
4-[[cyclopropyl-(2-naphthalen-2-ylacetyl)amino]methyl]-N-methylbenzamide
CID 33351222
(E)-N-benzyl-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide
CID 86770622
(E)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylprop-2-enamide
CID 43602226

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]-N-methylbenzamide (CID 34180939) is 4-[[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C(=O)/C=C/c2cccs2)C2CC2)cc1.
What is the InChIKey of 4-[[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]-N-methylbenzamide?
The InChIKey is LGHCOWIOBJOXHO-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-20-19(23)15-6-4-14(5-7-15)13-21(16-8-9-16)18(22)11-10-17-3-2-12-24-17/h2-7,10-12,16H,8-9,13H2,1H3,(H,20,23)/b11-10+.
What are the key properties of 4-[[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]-N-methylbenzamide?
4-[[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]-N-methylbenzamide has a molecular weight of 340.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 34180939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).