N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide

C24H32N2O4S — CID 46654602

IUPACN-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCOc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3C)ccc2C)cc1
InChIInChI=1S/C24H32N2O4S/c1-5-30-21-12-10-20(11-13-21)17-25(4)24(27)23-16-22(14-9-18(23)2)31(28,29)26-15-7-6-8-19(26)3/h9-14,16,19H,5-8,15,17H2,1-4H3
InChIKeyREEOVGOJPDLVLB-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.23
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 46654602) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID46654602
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCOc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3C)ccc2C)cc1
InChIInChI=1S/C24H32N2O4S/c1-5-30-21-12-10-20(11-13-21)17-25(4)24(27)23-16-22(14-9-18(23)2)31(28,29)26-15-7-6-8-19(26)3/h9-14,16,19H,5-8,15,17H2,1-4H3
InChIKeyREEOVGOJPDLVLB-UHFFFAOYSA-N
XLogP4.23
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55342700
methyl 4-[[methyl-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate
CID 46402513
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46565905
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 42909107
(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
CID 847002
N-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 55363381
[1-oxo-1-(propylamino)propan-2-yl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate
CID 46624379
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119384497
N-[(4-bromophenyl)methyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
CID 31145350
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119384496
2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010325
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968958

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 46654602) is N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide is CCOc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3C)ccc2C)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is REEOVGOJPDLVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-5-30-21-12-10-20(11-13-21)17-25(4)24(27)23-16-22(14-9-18(23)2)31(28,29)26-15-7-6-8-19(26)3/h9-14,16,19H,5-8,15,17H2,1-4H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 444.60 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 46654602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).