4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide

C22H27N3O4S — CID 46820186

IUPAC4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)cc1
InChIInChI=1S/C22H27N3O4S/c1-16-4-3-13-25(15-16)30(28,29)21-11-9-20(10-12-21)24-22(27)19-7-5-18(6-8-19)14-23-17(2)26/h5-12,16H,3-4,13-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyXDKULJWWHDXCRR-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.00
Rot. Bonds6

About 4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide

4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide (PubChem CID 46820186) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
PubChem CID46820186
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)cc1
InChIInChI=1S/C22H27N3O4S/c1-16-4-3-13-25(15-16)30(28,29)21-11-9-20(10-12-21)24-22(27)19-7-5-18(6-8-19)14-23-17(2)26/h5-12,16H,3-4,13-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyXDKULJWWHDXCRR-UHFFFAOYSA-N
XLogP3.00
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 41210171
4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311372
4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-methylsulfanylphenyl)benzamide
CID 16811498
4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 43030692
3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311561
2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17312033
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058847
3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311736
4-(3-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 109060909
2-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17311952

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide (CID 46820186) is 4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide is CC(=O)NCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is XDKULJWWHDXCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-16-4-3-13-25(15-16)30(28,29)21-11-9-20(10-12-21)24-22(27)19-7-5-18(6-8-19)14-23-17(2)26/h5-12,16H,3-4,13-15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 429.54 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 46820186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).