3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide

C20H32N2O4S — CID 133265330

IUPAC3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)CCc1cc(S(=O)(=O)N2CCCCC2)ccc1OC
InChIInChI=1S/C20H32N2O4S/c1-4-8-16(2)21-20(23)12-9-17-15-18(10-11-19(17)26-3)27(24,25)22-13-6-5-7-14-22/h10-11,15-16H,4-9,12-14H2,1-3H3,(H,21,23)
InChIKeyVBMZIOGBOWKXEH-UHFFFAOYSA-N
MW396.55 g/mol
LogP3.11
Rot. Bonds9

About 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide

3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide (PubChem CID 133265330) has the molecular formula C20H32N2O4S and a molecular weight of 396.55 g/mol. Its IUPAC name is 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide
PubChem CID133265330
Molecular FormulaC20H32N2O4S
Molecular Weight396.55 g/mol
Exact Mass396.21
IUPAC Name3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)CCc1cc(S(=O)(=O)N2CCCCC2)ccc1OC
InChIInChI=1S/C20H32N2O4S/c1-4-8-16(2)21-20(23)12-9-17-15-18(10-11-19(17)26-3)27(24,25)22-13-6-5-7-14-22/h10-11,15-16H,4-9,12-14H2,1-3H3,(H,21,23)
InChIKeyVBMZIOGBOWKXEH-UHFFFAOYSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-pentan-3-ylpropanamide
CID 100725262
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(2-methylphenyl)propanamide
CID 100747000
N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100511227
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide
CID 100504157
N-(2,4-dimethoxyphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100718511
methyl 4-[3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]benzoate
CID 100566364
N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100541707
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100561481
N-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100542671
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 100575909
2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide
CID 100768401
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide
CID 100730114

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide?
The IUPAC name of 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide (CID 133265330) is 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide?
The canonical SMILES for 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)CCc1cc(S(=O)(=O)N2CCCCC2)ccc1OC.
What is the InChIKey of 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide?
The InChIKey is VBMZIOGBOWKXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4S/c1-4-8-16(2)21-20(23)12-9-17-15-18(10-11-19(17)26-3)27(24,25)22-13-6-5-7-14-22/h10-11,15-16H,4-9,12-14H2,1-3H3,(H,21,23).
What are the key properties of 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide?
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide has a molecular weight of 396.55 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 133265330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).