N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide

C23H30N2O5S — CID 31285060

IUPACN-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(OCCN(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1
InChIInChI=1S/C23H30N2O5S/c1-18-7-12-21(31(27,28)25-13-5-4-6-14-25)17-22(18)23(26)24(2)15-16-30-20-10-8-19(29-3)9-11-20/h7-12,17H,4-6,13-16H2,1-3H3
InChIKeyWSAKVDJKEYJMDO-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.33
Rot. Bonds8

About N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide

N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 31285060) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID31285060
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(OCCN(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1
InChIInChI=1S/C23H30N2O5S/c1-18-7-12-21(31(27,28)25-13-5-4-6-14-25)17-22(18)23(26)24(2)15-16-30-20-10-8-19(29-3)9-11-20/h7-12,17H,4-6,13-16H2,1-3H3
InChIKeyWSAKVDJKEYJMDO-UHFFFAOYSA-N
XLogP3.33
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968958
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960788
2-bromo-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55897331
3-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 31213484
2-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26677034
N-[(4-bromophenyl)methyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
CID 31145350
N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18119321
2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2652262
2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide
CID 55347248
N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 33112136
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 43006589

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide (CID 31285060) is N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide is COc1ccc(OCCN(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is WSAKVDJKEYJMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-18-7-12-21(31(27,28)25-13-5-4-6-14-25)17-22(18)23(26)24(2)15-16-30-20-10-8-19(29-3)9-11-20/h7-12,17H,4-6,13-16H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide?
N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 446.57 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 31285060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).