N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide

C23H30N2O4S — CID 99144006

IUPACN-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C23H30N2O4S/c1-19-11-12-21(30(27,28)25-13-7-4-8-14-25)17-22(19)23(26)24(15-16-29-2)18-20-9-5-3-6-10-20/h3,5-6,9-12,17H,4,7-8,13-16,18H2,1-2H3
InChIKeyIIQYGVAZZQCLKU-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.46
Rot. Bonds8

About N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide

N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 99144006) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID99144006
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C23H30N2O4S/c1-19-11-12-21(30(27,28)25-13-7-4-8-14-25)17-22(19)23(26)24(15-16-29-2)18-20-9-5-3-6-10-20/h3,5-6,9-12,17H,4,7-8,13-16,18H2,1-2H3
InChIKeyIIQYGVAZZQCLKU-UHFFFAOYSA-N
XLogP3.46
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 24684527
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 27831858
3-(azepan-1-ylsulfonyl)-N-benzyl-4-chloro-N-(2-methoxyethyl)benzamide
CID 26292081
2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide
CID 55347248
N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 9094422
3-[ethyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119191193
2-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26677034
N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 55546272
2-chloro-N,N-bis(2-methoxyethyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 25408393
N-[(4-bromophenyl)methyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
CID 31145350
5-(azepan-1-ylsulfonyl)-N-(2-benzylsulfanylethyl)-2-methylbenzamide
CID 28590329
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 71803989

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide (CID 99144006) is N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide is COCCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is IIQYGVAZZQCLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-19-11-12-21(30(27,28)25-13-7-4-8-14-25)17-22(19)23(26)24(15-16-29-2)18-20-9-5-3-6-10-20/h3,5-6,9-12,17H,4,7-8,13-16,18H2,1-2H3.
What are the key properties of N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 430.57 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 99144006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).