N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide

C23H30N2O3S — CID 56522619

IUPACN-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NC(C)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H30N2O3S/c1-3-17-29(27,28)25-16-10-11-19(18-25)22(26)24-23(2,20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15,19H,3,10-11,16-18H2,1-2H3,(H,24,26)
InChIKeyAKGJWSRIEAFPOT-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.52
Rot. Bonds7

About N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide

N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 56522619) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID56522619
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NC(C)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H30N2O3S/c1-3-17-29(27,28)25-16-10-11-19(18-25)22(26)24-23(2,20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15,19H,3,10-11,16-18H2,1-2H3,(H,24,26)
InChIKeyAKGJWSRIEAFPOT-UHFFFAOYSA-N
XLogP3.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide
CID 55752735
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55798853
(3R)-1-ethylsulfonyl-N-(2-methyl-1-phenylpropan-2-yl)piperidine-3-carboxamide
CID 95875273
(3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 98679681
N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647265
N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide
CID 55647051
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4115045
N'-benzyl-N'-phenyl-1-propylsulfonylpiperidine-3-carbohydrazide
CID 55753038
1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 4532780
N-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 3242399
N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647082
N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide
CID 42959145

Frequently Asked Questions

What is the IUPAC name of N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide (CID 56522619) is N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NC(C)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is AKGJWSRIEAFPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-3-17-29(27,28)25-16-10-11-19(18-25)22(26)24-23(2,20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15,19H,3,10-11,16-18H2,1-2H3,(H,24,26).
What are the key properties of N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide?
N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 414.57 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 56522619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).