N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide

C22H28N2O4S — CID 4938426

IUPACN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-3-16-28-20-8-4-18(5-9-20)22(25)23-19-6-10-21(11-7-19)29(26,27)24-14-12-17(2)13-15-24/h4-11,17H,3,12-16H2,1-2H3,(H,23,25)
InChIKeyOOJYYFQVLYQCBR-UHFFFAOYSA-N
MW416.54 g/mol
LogP4.15
Rot. Bonds7

About N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide (PubChem CID 4938426) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide
PubChem CID4938426
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-3-16-28-20-8-4-18(5-9-20)22(25)23-19-6-10-21(11-7-19)29(26,27)24-14-12-17(2)13-15-24/h4-11,17H,3,12-16H2,1-2H3,(H,23,25)
InChIKeyOOJYYFQVLYQCBR-UHFFFAOYSA-N
XLogP4.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylbutoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 4948201
N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide
CID 4938402
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide
CID 18848821
4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 18274530
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-ethoxyphenyl)benzamide
CID 4557243
4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 17112612
N-[4-(4-fluorophenoxy)butyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 42572130
6-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide
CID 9492793
4-(4-methylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269172
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9033710

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide (CID 4938426) is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide?
The InChIKey is OOJYYFQVLYQCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-3-16-28-20-8-4-18(5-9-20)22(25)23-19-6-10-21(11-7-19)29(26,27)24-14-12-17(2)13-15-24/h4-11,17H,3,12-16H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide?
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide has a molecular weight of 416.54 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide is sourced from PubChem (CID 4938426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).