N-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide

C25H34N4O3S — CID 174937674

IUPACN-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide
SMILESO=C(NCS(=O)(=O)NCCN1CCC(CNC2CC2c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C25H34N4O3S/c30-25(22-9-5-2-6-10-22)27-19-33(31,32)28-13-16-29-14-11-20(12-15-29)18-26-24-17-23(24)21-7-3-1-4-8-21/h1-10,20,23-24,26,28H,11-19H2,(H,27,30)
InChIKeySAFUHHMYJOXADU-UHFFFAOYSA-N
MW470.64 g/mol
LogP2.15
Rot. Bonds11

About N-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide

N-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide (PubChem CID 174937674) has the molecular formula C25H34N4O3S and a molecular weight of 470.64 g/mol. Its IUPAC name is N-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide
PubChem CID174937674
Molecular FormulaC25H34N4O3S
Molecular Weight470.64 g/mol
Exact Mass470.24
IUPAC NameN-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide
SMILESO=C(NCS(=O)(=O)NCCN1CCC(CNC2CC2c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C25H34N4O3S/c30-25(22-9-5-2-6-10-22)27-19-33(31,32)28-13-16-29-14-11-20(12-15-29)18-26-24-17-23(24)21-7-3-1-4-8-21/h1-10,20,23-24,26,28H,11-19H2,(H,27,30)
InChIKeySAFUHHMYJOXADU-UHFFFAOYSA-N
XLogP2.15
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid
CID 66571126
N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide
CID 162640822
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
CID 70810946
1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
CID 77144981
N-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide
CID 118304068
4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
N-(1-benzylpyrrolidin-3-yl)-3-[2-(cyclopropylmethylamino)cyclopropyl]benzamide
CID 118304729
N-hydroxy-4-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]sulfonylbenzamide;2,2,2-trifluoroacetic acid
CID 175752354
4-hydroxy-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide
CID 175362326
N-hydroxy-4-[3-oxo-3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]prop-1-enyl]benzamide
CID 155143234
tert-butyl 4-[[[(2R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 138722566
tert-butyl 4-[[[(1S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 70810888

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide?
The IUPAC name of N-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide (CID 174937674) is N-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide.
What is the SMILES notation for N-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide?
The canonical SMILES for N-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide is O=C(NCS(=O)(=O)NCCN1CCC(CNC2CC2c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide?
The InChIKey is SAFUHHMYJOXADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3S/c30-25(22-9-5-2-6-10-22)27-19-33(31,32)28-13-16-29-14-11-20(12-15-29)18-26-24-17-23(24)21-7-3-1-4-8-21/h1-10,20,23-24,26,28H,11-19H2,(H,27,30).
What are the key properties of N-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide?
N-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide has a molecular weight of 470.64 g/mol, XLogP of 2.15, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide is sourced from PubChem (CID 174937674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).