5-acetamido-2-(methanesulfonamido)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]benzamide

C21H27N5O4S — CID 56539881

IUPAC5-acetamido-2-(methanesulfonamido)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NCc2cccnc2N2CCCCC2)c1
InChIInChI=1S/C21H27N5O4S/c1-15(27)24-17-8-9-19(25-31(2,29)30)18(13-17)21(28)23-14-16-7-6-10-22-20(16)26-11-4-3-5-12-26/h6-10,13,25H,3-5,11-12,14H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyODMSYEVWIAPCPH-UHFFFAOYSA-N
MW445.55 g/mol
LogP2.33
Rot. Bonds7

About 5-acetamido-2-(methanesulfonamido)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]benzamide

5-acetamido-2-(methanesulfonamido)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]benzamide (PubChem CID 56539881) has the molecular formula C21H27N5O4S and a molecular weight of 445.55 g/mol. Its IUPAC name is 5-acetamido-2-(methanesulfonamido)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name5-acetamido-2-(methanesulfonamido)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]benzamide
PubChem CID56539881
Molecular FormulaC21H27N5O4S
Molecular Weight445.55 g/mol
Exact Mass445.18
IUPAC Name5-acetamido-2-(methanesulfonamido)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NCc2cccnc2N2CCCCC2)c1
InChIInChI=1S/C21H27N5O4S/c1-15(27)24-17-8-9-19(25-31(2,29)30)18(13-17)21(28)23-14-16-7-6-10-22-20(16)26-11-4-3-5-12-26/h6-10,13,25H,3-5,11-12,14H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyODMSYEVWIAPCPH-UHFFFAOYSA-N
XLogP2.33
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetamido-N-[3-(azepan-1-yl)propyl]-2-(methanesulfonamido)benzamide
CID 56579751
5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 56579334
N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 167957186
5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide
CID 56539236
2-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 51093842
4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56756917
methyl 5-[[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 56579697
5-acetamido-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-hydroxybenzamide
CID 86943591
2-(3-fluorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 51093862
2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 51093870
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
5-acetamido-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-(methanesulfonamido)benzamide
CID 56579249

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-(methanesulfonamido)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 5-acetamido-2-(methanesulfonamido)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]benzamide (CID 56539881) is 5-acetamido-2-(methanesulfonamido)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 5-acetamido-2-(methanesulfonamido)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 5-acetamido-2-(methanesulfonamido)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]benzamide is CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NCc2cccnc2N2CCCCC2)c1.
What is the InChIKey of 5-acetamido-2-(methanesulfonamido)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is ODMSYEVWIAPCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4S/c1-15(27)24-17-8-9-19(25-31(2,29)30)18(13-17)21(28)23-14-16-7-6-10-22-20(16)26-11-4-3-5-12-26/h6-10,13,25H,3-5,11-12,14H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 5-acetamido-2-(methanesulfonamido)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
5-acetamido-2-(methanesulfonamido)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 445.55 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-(methanesulfonamido)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 56539881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).