N-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide

C19H22N2O2S — CID 38397536

IUPACN-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)CCc1ccsc1
InChIInChI=1S/C19H22N2O2S/c1-21(18(22)9-4-15-10-11-24-13-15)12-14-2-5-16(6-3-14)19(23)20-17-7-8-17/h2-3,5-6,10-11,13,17H,4,7-9,12H2,1H3,(H,20,23)
InChIKeyDQERSZJSJAKCDM-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.23
Rot. Bonds7

About N-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide

N-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide (PubChem CID 38397536) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide
PubChem CID38397536
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)CCc1ccsc1
InChIInChI=1S/C19H22N2O2S/c1-21(18(22)9-4-15-10-11-24-13-15)12-14-2-5-16(6-3-14)19(23)20-17-7-8-17/h2-3,5-6,10-11,13,17H,4,7-9,12H2,1H3,(H,20,23)
InChIKeyDQERSZJSJAKCDM-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide
CID 38390372
N-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide
CID 43687516
3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 54905173
N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide
CID 33360987
1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide
CID 75390351
N-cyclopropyl-4-[[methyl-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]benzamide
CID 38392360
4-[(dimethylamino)methyl]-N-(4-hydroxycyclohexyl)benzamide
CID 43393996
1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one
CID 116559357
N-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide
CID 78847973
N-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738004
N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
CID 46485261
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium
CID 9125100

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide (CID 38397536) is N-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide is CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)CCc1ccsc1.
What is the InChIKey of N-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide?
The InChIKey is DQERSZJSJAKCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-21(18(22)9-4-15-10-11-24-13-15)12-14-2-5-16(6-3-14)19(23)20-17-7-8-17/h2-3,5-6,10-11,13,17H,4,7-9,12H2,1H3,(H,20,23).
What are the key properties of N-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide?
N-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide has a molecular weight of 342.46 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide is sourced from PubChem (CID 38397536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).