4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylbenzamide

C20H29N5O3S — CID 86945904

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylbenzamide
SMILESCc1nnc(CN(C)C(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)n1C
InChIInChI=1S/C20H29N5O3S/c1-14-10-15(2)12-25(11-14)29(27,28)18-8-6-17(7-9-18)20(26)23(4)13-19-22-21-16(3)24(19)5/h6-9,14-15H,10-13H2,1-5H3
InChIKeyRTBMWZNOGVHGEO-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.06
Rot. Bonds5

About 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylbenzamide

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylbenzamide (PubChem CID 86945904) has the molecular formula C20H29N5O3S and a molecular weight of 419.55 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylbenzamide
PubChem CID86945904
Molecular FormulaC20H29N5O3S
Molecular Weight419.55 g/mol
Exact Mass419.20
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylbenzamide
SMILESCc1nnc(CN(C)C(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)n1C
InChIInChI=1S/C20H29N5O3S/c1-14-10-15(2)12-25(11-14)29(27,28)18-8-6-17(7-9-18)20(26)23(4)13-19-22-21-16(3)24(19)5/h6-9,14-15H,10-13H2,1-5H3
InChIKeyRTBMWZNOGVHGEO-UHFFFAOYSA-N
XLogP2.06
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylbenzamide with MolForge

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide;hydrochloride
CID 119656646
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 26667345
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl chloride
CID 7109677
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methyl-N-(1-phenylethyl)benzamide
CID 46601304
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2049561
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N',N'-dimethylbenzohydrazide
CID 9163818
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55614333
methyl 2-[benzyl-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]acetate
CID 55816943
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 9020441
N-(3-aminobutyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 119499240
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)-N-propan-2-ylbenzamide
CID 56501705

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylbenzamide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylbenzamide (CID 86945904) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylbenzamide is Cc1nnc(CN(C)C(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)n1C.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylbenzamide?
The InChIKey is RTBMWZNOGVHGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3S/c1-14-10-15(2)12-25(11-14)29(27,28)18-8-6-17(7-9-18)20(26)23(4)13-19-22-21-16(3)24(19)5/h6-9,14-15H,10-13H2,1-5H3.
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylbenzamide?
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylbenzamide has a molecular weight of 419.55 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 86945904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).