4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide

C22H29N3O4S — CID 53278727

IUPAC4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C22H29N3O4S/c1-24-14-12-19(13-15-24)23-22(26)18-6-4-17(5-7-18)16-25(2)30(27,28)21-10-8-20(29-3)9-11-21/h4-11,19H,12-16H2,1-3H3,(H,23,26)
InChIKeyFHOXUQAVFIJWNG-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.34
Rot. Bonds7

About 4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide

4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 53278727) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID53278727
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C22H29N3O4S/c1-24-14-12-19(13-15-24)23-22(26)18-6-4-17(5-7-18)16-25(2)30(27,28)21-10-8-20(29-3)9-11-21/h4-11,19H,12-16H2,1-3H3,(H,23,26)
InChIKeyFHOXUQAVFIJWNG-UHFFFAOYSA-N
XLogP2.34
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278728
4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278776
4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
CID 95933789
N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide
CID 132668447
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzoic acid
CID 100553172
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
CID 53279690
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylsulfonylbenzamide
CID 41171707
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 715058
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967188

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide (CID 53278727) is 4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide is COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)cc1.
What is the InChIKey of 4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is FHOXUQAVFIJWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-24-14-12-19(13-15-24)23-22(26)18-6-4-17(5-7-18)16-25(2)30(27,28)21-10-8-20(29-3)9-11-21/h4-11,19H,12-16H2,1-3H3,(H,23,26).
What are the key properties of 4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide?
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 431.56 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 53278727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).