N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide

C19H29N3O5S — CID 55408650

IUPACN-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N(C)C)cc1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C19H29N3O5S/c1-13-8-14(2)12-22(11-13)28(25,26)17-9-15(6-7-16(17)27-5)19(24)20-10-18(23)21(3)4/h6-7,9,13-14H,8,10-12H2,1-5H3,(H,20,24)
InChIKeyQWDLRXRZHFHAGN-UHFFFAOYSA-N
MW411.52 g/mol
LogP1.18
Rot. Bonds6

About N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide

N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide (PubChem CID 55408650) has the molecular formula C19H29N3O5S and a molecular weight of 411.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
PubChem CID55408650
Molecular FormulaC19H29N3O5S
Molecular Weight411.52 g/mol
Exact Mass411.18
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N(C)C)cc1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C19H29N3O5S/c1-13-8-14(2)12-22(11-13)28(25,26)17-9-15(6-7-16(17)27-5)19(24)20-10-18(23)21(3)4/h6-7,9,13-14H,8,10-12H2,1-5H3,(H,20,24)
InChIKeyQWDLRXRZHFHAGN-UHFFFAOYSA-N
XLogP1.18
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-prop-2-enylbenzamide
CID 51157554
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide
CID 51279171
3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 26905197
N-[(2,4-dimethoxyphenyl)methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 46590391
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N'-(3-methylbutanoyl)benzohydrazide
CID 46423752
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-4-methoxybenzamide
CID 100853032
N-butyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide
CID 55547953
N-cyclohexyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide
CID 55334509
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55797464
N-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 55450949
N-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide
CID 26086200
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
CID 26086684

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide (CID 55408650) is N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide is COc1ccc(C(=O)NCC(=O)N(C)C)cc1S(=O)(=O)N1CC(C)CC(C)C1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide?
The InChIKey is QWDLRXRZHFHAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5S/c1-13-8-14(2)12-22(11-13)28(25,26)17-9-15(6-7-16(17)27-5)19(24)20-10-18(23)21(3)4/h6-7,9,13-14H,8,10-12H2,1-5H3,(H,20,24).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide?
N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide has a molecular weight of 411.52 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide is sourced from PubChem (CID 55408650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).