N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide

C22H28N2O4S — CID 66872598

IUPACN-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C22H28N2O4S/c1-17(2)28-20-11-9-19(10-12-20)22(25)23-16-18-7-6-8-21(15-18)29(26,27)24-13-4-3-5-14-24/h6-12,15,17H,3-5,13-14,16H2,1-2H3,(H,23,25)
InChIKeyVSHQDZGJRYZBRI-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.58
Rot. Bonds7

About N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide

N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide (PubChem CID 66872598) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide
PubChem CID66872598
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C22H28N2O4S/c1-17(2)28-20-11-9-19(10-12-20)22(25)23-16-18-7-6-8-21(15-18)29(26,27)24-13-4-3-5-14-24/h6-12,15,17H,3-5,13-14,16H2,1-2H3,(H,23,25)
InChIKeyVSHQDZGJRYZBRI-UHFFFAOYSA-N
XLogP3.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 53282284
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55909982
3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 66872671
2-methyl-5-piperidin-1-ylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46772880
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 53281743
4-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]benzamide
CID 5135953
3-(azepan-1-ylsulfonyl)-N-[(4-ethoxyphenyl)methyl]benzamide
CID 53285754
N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973692
1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 70680204
1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 94108023
N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 33013667
2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119765108

Frequently Asked Questions

What is the IUPAC name of N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide (CID 66872598) is N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide?
The InChIKey is VSHQDZGJRYZBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17(2)28-20-11-9-19(10-12-20)22(25)23-16-18-7-6-8-21(15-18)29(26,27)24-13-4-3-5-14-24/h6-12,15,17H,3-5,13-14,16H2,1-2H3,(H,23,25).
What are the key properties of N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide?
N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide has a molecular weight of 416.54 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 66872598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).