N-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide

C23H30N2O4S — CID 55966570

IUPACN-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H30N2O4S/c1-2-16-30(27,28)25-15-7-6-10-22(25)23(26)24-17-19-11-13-21(14-12-19)29-18-20-8-4-3-5-9-20/h3-5,8-9,11-14,22H,2,6-7,10,15-18H2,1H3,(H,24,26)
InChIKeyIDFQLEMBOXCCRX-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.48
Rot. Bonds9

About N-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide

N-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide (PubChem CID 55966570) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide
PubChem CID55966570
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H30N2O4S/c1-2-16-30(27,28)25-15-7-6-10-22(25)23(26)24-17-19-11-13-21(14-12-19)29-18-20-8-4-3-5-9-20/h3-5,8-9,11-14,22H,2,6-7,10,15-18H2,1H3,(H,24,26)
InChIKeyIDFQLEMBOXCCRX-UHFFFAOYSA-N
XLogP3.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241350
methyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate
CID 55880907
N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55966193
(2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide
CID 101173679
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240584
1-(benzenesulfonyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 46476011
5-[[[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 129465976
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
4-[4-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247130
(2S)-N-benzyl-1-[2-(2-fluorophenyl)ethylsulfonyl]pyrrolidine-2-carboxamide
CID 110305953
N-(1,3-benzodioxol-5-ylmethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240294
1-(4-methylphenyl)sulfonyl-N-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46590461

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide (CID 55966570) is N-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide is CCCS(=O)(=O)N1CCCCC1C(=O)NCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide?
The InChIKey is IDFQLEMBOXCCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-2-16-30(27,28)25-15-7-6-10-22(25)23(26)24-17-19-11-13-21(14-12-19)29-18-20-8-4-3-5-9-20/h3-5,8-9,11-14,22H,2,6-7,10,15-18H2,1H3,(H,24,26).
What are the key properties of N-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide?
N-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 55966570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).