N-[3-(2-methoxyethoxy)propyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

C21H34N2O5S — CID 55407911

IUPACN-[3-(2-methoxyethoxy)propyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOCCOCCCNC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C21H34N2O5S/c1-16-6-9-23(10-7-16)29(25,26)20-15-19(14-17(2)18(20)3)21(24)22-8-5-11-28-13-12-27-4/h14-16H,5-13H2,1-4H3,(H,22,24)
InChIKeyRKWRILKJUUBNNS-UHFFFAOYSA-N
MW426.58 g/mol
LogP2.51
Rot. Bonds10

About N-[3-(2-methoxyethoxy)propyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-[3-(2-methoxyethoxy)propyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55407911) has the molecular formula C21H34N2O5S and a molecular weight of 426.58 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55407911
Molecular FormulaC21H34N2O5S
Molecular Weight426.58 g/mol
Exact Mass426.22
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOCCOCCCNC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C21H34N2O5S/c1-16-6-9-23(10-7-16)29(25,26)20-15-19(14-17(2)18(20)3)21(24)22-8-5-11-28-13-12-27-4/h14-16H,5-13H2,1-4H3,(H,22,24)
InChIKeyRKWRILKJUUBNNS-UHFFFAOYSA-N
XLogP2.51
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-[3-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119433268
N-(2-hydroxyethyl)-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 78816617
N-(3-methoxypropyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46349335
3-[[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-2-methylpropanoic acid
CID 119236545
3-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 7357086
N-butan-2-yl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46521885
N,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 51218909
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26454802
[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone
CID 17466177
(2-amino-2-oxoethyl) 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 27577234
3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428202
3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide
CID 27700270

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 55407911) is N-[3-(2-methoxyethoxy)propyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is COCCOCCCNC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is RKWRILKJUUBNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O5S/c1-16-6-9-23(10-7-16)29(25,26)20-15-19(14-17(2)18(20)3)21(24)22-8-5-11-28-13-12-27-4/h14-16H,5-13H2,1-4H3,(H,22,24).
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-[3-(2-methoxyethoxy)propyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 426.58 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55407911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).