N,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide

C22H28N2O3S — CID 43021987

IUPACN,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(C)C(C)c1ccccc1
InChIInChI=1S/C22H28N2O3S/c1-17-12-13-20(28(26,27)24-14-8-5-9-15-24)16-21(17)22(25)23(3)18(2)19-10-6-4-7-11-19/h4,6-7,10-13,16,18H,5,8-9,14-15H2,1-3H3
InChIKeyGPVOUGZEHVDORP-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.00
Rot. Bonds5

About N,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide

N,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 43021987) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID43021987
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(C)C(C)c1ccccc1
InChIInChI=1S/C22H28N2O3S/c1-17-12-13-20(28(26,27)24-14-8-5-9-15-24)16-21(17)22(25)23(3)18(2)19-10-6-4-7-11-19/h4,6-7,10-13,16,18H,5,8-9,14-15H2,1-3H3
InChIKeyGPVOUGZEHVDORP-UHFFFAOYSA-N
XLogP4.00
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55550998
2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide
CID 55347248
5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 43882561
2-methyl-N-phenyl-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
CID 55551276
2-methyl-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982783
N,2-dimethyl-N-(1-methylpiperidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 2361083
2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 99130880
N,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide
CID 55372562
2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid
CID 119194905
3-[ethyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119191193
azepan-1-yl-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 2344798
2-methyl-N-(2-phenylsulfanylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 9482877

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide (CID 43021987) is N,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(C)C(C)c1ccccc1.
What is the InChIKey of N,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is GPVOUGZEHVDORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-17-12-13-20(28(26,27)24-14-8-5-9-15-24)16-21(17)22(25)23(3)18(2)19-10-6-4-7-11-19/h4,6-7,10-13,16,18H,5,8-9,14-15H2,1-3H3.
What are the key properties of N,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide?
N,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 400.54 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 43021987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).