N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide

C23H30N2O4S — CID 27447023

IUPACN,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1cccc(OCCN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C23H30N2O4S/c1-18-8-7-9-21(16-18)29-15-14-24(3)23(26)20-11-10-19(2)22(17-20)30(27,28)25-12-5-4-6-13-25/h7-11,16-17H,4-6,12-15H2,1-3H3
InChIKeyZHTAWGCHMDYSGK-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.63
Rot. Bonds7

About N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide

N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 27447023) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID27447023
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1cccc(OCCN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C23H30N2O4S/c1-18-8-7-9-21(16-18)29-15-14-24(3)23(26)20-11-10-19(2)22(17-20)30(27,28)25-12-5-4-6-13-25/h7-11,16-17H,4-6,12-15H2,1-3H3
InChIKeyZHTAWGCHMDYSGK-UHFFFAOYSA-N
XLogP3.63
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 31213484
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 26994062
4-chloro-N-[2-(3-methylphenoxy)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17488166
N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 26912781
4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960788
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9246729
N,4-dimethyl-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 99956878
2-(3-chlorophenoxy)ethyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 16528571
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 134041709
1-(2-cyanophenyl)sulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 24506314
4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 134057878
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one
CID 18280286

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide (CID 27447023) is N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide is Cc1cccc(OCCN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1.
What is the InChIKey of N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ZHTAWGCHMDYSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-18-8-7-9-21(16-18)29-15-14-24(3)23(26)20-11-10-19(2)22(17-20)30(27,28)25-12-5-4-6-13-25/h7-11,16-17H,4-6,12-15H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 430.57 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 27447023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).