3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide

C19H30N2O5S — CID 55695101

IUPAC3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2ccc(OC(C)C)c(OC)c2)CC1
InChIInChI=1S/C19H30N2O5S/c1-5-12-27(23,24)21-10-8-16(9-11-21)20-19(22)15-6-7-17(26-14(2)3)18(13-15)25-4/h6-7,13-14,16H,5,8-12H2,1-4H3,(H,20,22)
InChIKeyJKDCHUXZXUXMJO-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.42
Rot. Bonds8

About 3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide

3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide (PubChem CID 55695101) has the molecular formula C19H30N2O5S and a molecular weight of 398.53 g/mol. Its IUPAC name is 3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
PubChem CID55695101
Molecular FormulaC19H30N2O5S
Molecular Weight398.53 g/mol
Exact Mass398.19
IUPAC Name3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2ccc(OC(C)C)c(OC)c2)CC1
InChIInChI=1S/C19H30N2O5S/c1-5-12-27(23,24)21-10-8-16(9-11-21)20-19(22)15-6-7-17(26-14(2)3)18(13-15)25-4/h6-7,13-14,16H,5,8-12H2,1-4H3,(H,20,22)
InChIKeyJKDCHUXZXUXMJO-UHFFFAOYSA-N
XLogP2.42
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 5017279
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propylsulfonylpiperidine-2-carbohydrazide
CID 55997867
N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559133
2-methyl-1,3-dioxo-N-(1-propylsulfonylpiperidin-4-yl)isoindole-5-carboxamide
CID 46456097
N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide
CID 55992962
3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 110823059
cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675150
2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 46464711
methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate
CID 7618747
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
CID 119620952
butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559158
5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
CID 78950028

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide (CID 55695101) is 3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide is CCCS(=O)(=O)N1CCC(NC(=O)c2ccc(OC(C)C)c(OC)c2)CC1.
What is the InChIKey of 3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is JKDCHUXZXUXMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5S/c1-5-12-27(23,24)21-10-8-16(9-11-21)20-19(22)15-6-7-17(26-14(2)3)18(13-15)25-4/h6-7,13-14,16H,5,8-12H2,1-4H3,(H,20,22).
What are the key properties of 3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide?
3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 398.53 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 55695101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).