N-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide

C26H33N3O4S — CID 38390372

IUPACN-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H33N3O4S/c1-28(19-21-5-10-22(11-6-21)26(31)27-23-12-13-23)25(30)16-9-20-7-14-24(15-8-20)34(32,33)29-17-3-2-4-18-29/h5-8,10-11,14-15,23H,2-4,9,12-13,16-19H2,1H3,(H,27,31)
InChIKeyTXGICRDSCMLODK-UHFFFAOYSA-N
MW483.63 g/mol
LogP3.34
Rot. Bonds9

About N-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide

N-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide (PubChem CID 38390372) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide
PubChem CID38390372
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H33N3O4S/c1-28(19-21-5-10-22(11-6-21)26(31)27-23-12-13-23)25(30)16-9-20-7-14-24(15-8-20)34(32,33)29-17-3-2-4-18-29/h5-8,10-11,14-15,23H,2-4,9,12-13,16-19H2,1H3,(H,27,31)
InChIKeyTXGICRDSCMLODK-UHFFFAOYSA-N
XLogP3.34
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 31843584
N-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 43024933
N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9091107
N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 27795278
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 27863741
N-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide
CID 38397536
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide
CID 109059487
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 24660737
N-methyl-N-piperidin-4-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 119442142
N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51147794
(2S)-2-methyl-3-[methyl-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]amino]propanoic acid
CID 97234343
N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 51294911

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide (CID 38390372) is N-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide is CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide?
The InChIKey is TXGICRDSCMLODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-28(19-21-5-10-22(11-6-21)26(31)27-23-12-13-23)25(30)16-9-20-7-14-24(15-8-20)34(32,33)29-17-3-2-4-18-29/h5-8,10-11,14-15,23H,2-4,9,12-13,16-19H2,1H3,(H,27,31).
What are the key properties of N-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide has a molecular weight of 483.63 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide is sourced from PubChem (CID 38390372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).