3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide

C22H28N2O4S — CID 34367905

IUPAC3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C22H28N2O4S/c1-17-9-11-19(16-21(17)29(26,27)24-13-4-3-5-14-24)23-22(25)12-10-18-7-6-8-20(15-18)28-2/h6-9,11,15-16H,3-5,10,12-14H2,1-2H3,(H,23,25)
InChIKeyQVGNXGZKOVRXHI-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.75
Rot. Bonds7

About 3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide

3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 34367905) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID34367905
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C22H28N2O4S/c1-17-9-11-19(16-21(17)29(26,27)24-13-4-3-5-14-24)23-22(25)12-10-18-7-6-8-20(15-18)28-2/h6-9,11,15-16H,3-5,10,12-14H2,1-2H3,(H,23,25)
InChIKeyQVGNXGZKOVRXHI-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26588789
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide
CID 35728693
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 31009711
3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 86955894
3-(3-bromophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 29436303
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 26921911
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide
CID 24543222
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
3-(3-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 110361627
3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 25437805

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide (CID 34367905) is 3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide is COc1cccc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is QVGNXGZKOVRXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17-9-11-19(16-21(17)29(26,27)24-13-4-3-5-14-24)23-22(25)12-10-18-7-6-8-20(15-18)28-2/h6-9,11,15-16H,3-5,10,12-14H2,1-2H3,(H,23,25).
What are the key properties of 3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide?
3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 416.54 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 34367905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).