N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

C25H35N3O3S — CID 46628535

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C25H35N3O3S/c1-4-27(5-2)19-23-12-7-6-11-22(23)18-26-25(29)21-13-15-24(16-14-21)32(30,31)28-17-9-8-10-20(28)3/h6-7,11-16,20H,4-5,8-10,17-19H2,1-3H3,(H,26,29)
InChIKeyFVJLNBXDSPYGKD-UHFFFAOYSA-N
MW457.64 g/mol
LogP4.02
Rot. Bonds9

About N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 46628535) has the molecular formula C25H35N3O3S and a molecular weight of 457.64 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID46628535
Molecular FormulaC25H35N3O3S
Molecular Weight457.64 g/mol
Exact Mass457.24
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C25H35N3O3S/c1-4-27(5-2)19-23-12-7-6-11-22(23)18-26-25(29)21-13-15-24(16-14-21)32(30,31)28-17-9-8-10-20(28)3/h6-7,11-16,20H,4-5,8-10,17-19H2,1-3H3,(H,26,29)
InChIKeyFVJLNBXDSPYGKD-UHFFFAOYSA-N
XLogP4.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55395914
1-(benzenesulfonyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 46671481
N-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 112791077
methyl 4-[[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 40881781
4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55657177
4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-nitrophenyl)methyl]benzamide
CID 60535859
N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119408692
4-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17482722
N-[(2S)-2-ethoxy-2-phenylethyl]-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 124859057
N-benzyl-1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide
CID 46613222
N-[2-(methylamino)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120832996
N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55408143

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 46628535) is N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is CCN(CC)Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is FVJLNBXDSPYGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3S/c1-4-27(5-2)19-23-12-7-6-11-22(23)18-26-25(29)21-13-15-24(16-14-21)32(30,31)28-17-9-8-10-20(28)3/h6-7,11-16,20H,4-5,8-10,17-19H2,1-3H3,(H,26,29).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 457.64 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 46628535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).