3-(3-methoxypiperidin-1-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)benzamide

C22H28N2O5S — CID 66872388

IUPAC3-(3-methoxypiperidin-1-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCOC1CCCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(OC(C)C)cc3)c2)C1
InChIInChI=1S/C22H28N2O5S/c1-16(2)29-19-11-9-18(10-12-19)23-22(25)17-6-4-8-21(14-17)30(26,27)24-13-5-7-20(15-24)28-3/h4,6,8-12,14,16,20H,5,7,13,15H2,1-3H3,(H,23,25)
InChIKeySHTXXRIGBYPFHM-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.53
Rot. Bonds7

About 3-(3-methoxypiperidin-1-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)benzamide

3-(3-methoxypiperidin-1-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)benzamide (PubChem CID 66872388) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 3-(3-methoxypiperidin-1-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-(3-methoxypiperidin-1-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
PubChem CID66872388
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name3-(3-methoxypiperidin-1-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCOC1CCCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(OC(C)C)cc3)c2)C1
InChIInChI=1S/C22H28N2O5S/c1-16(2)29-19-11-9-18(10-12-19)23-22(25)17-6-4-8-21(14-17)30(26,27)24-13-5-7-20(15-24)28-3/h4,6,8-12,14,16,20H,5,7,13,15H2,1-3H3,(H,23,25)
InChIKeySHTXXRIGBYPFHM-UHFFFAOYSA-N
XLogP3.53
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 66872671
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-(4-propan-2-yloxyphenyl)benzamide;2,2,2-trifluoroacetic acid
CID 66872331
3-(3-methoxypiperidin-1-yl)sulfonylbenzenecarbothioamide
CID 102957915
propan-2-yl 4-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 7733570
N-[4-(difluoromethoxy)phenyl]-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 26524631
3-[(4-propan-2-yloxyphenyl)carbamoyl]benzenesulfonyl chloride
CID 86649791
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065568
N-(4-butan-2-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17226901
1-(4-fluorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 133168255
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1250095
3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 17149736
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide
CID 7759035

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypiperidin-1-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 3-(3-methoxypiperidin-1-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)benzamide (CID 66872388) is 3-(3-methoxypiperidin-1-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 3-(3-methoxypiperidin-1-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 3-(3-methoxypiperidin-1-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)benzamide is COC1CCCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(OC(C)C)cc3)c2)C1.
What is the InChIKey of 3-(3-methoxypiperidin-1-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)benzamide?
The InChIKey is SHTXXRIGBYPFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-16(2)29-19-11-9-18(10-12-19)23-22(25)17-6-4-8-21(14-17)30(26,27)24-13-5-7-20(15-24)28-3/h4,6,8-12,14,16,20H,5,7,13,15H2,1-3H3,(H,23,25).
What are the key properties of 3-(3-methoxypiperidin-1-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)benzamide?
3-(3-methoxypiperidin-1-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)benzamide has a molecular weight of 432.54 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypiperidin-1-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 66872388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).