3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide

C27H30N2O4S — CID 155465315

IUPAC3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide
SMILESO=C(CCc1ccccc1)NC1CCCN(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C27H30N2O4S/c30-27(18-13-22-8-3-1-4-9-22)28-24-12-7-19-29(20-24)34(31,32)26-16-14-25(15-17-26)33-21-23-10-5-2-6-11-23/h1-6,8-11,14-17,24H,7,12-13,18-21H2,(H,28,30)
InChIKeyBBEYJENOPDGBTO-UHFFFAOYSA-N
MW478.61 g/mol
LogP4.17
Rot. Bonds9

About 3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide

3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide (PubChem CID 155465315) has the molecular formula C27H30N2O4S and a molecular weight of 478.61 g/mol. Its IUPAC name is 3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide
PubChem CID155465315
Molecular FormulaC27H30N2O4S
Molecular Weight478.61 g/mol
Exact Mass478.19
IUPAC Name3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide
SMILESO=C(CCc1ccccc1)NC1CCCN(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C27H30N2O4S/c30-27(18-13-22-8-3-1-4-9-22)28-24-12-7-19-29(20-24)34(31,32)26-16-14-25(15-17-26)33-21-23-10-5-2-6-11-23/h1-6,8-11,14-17,24H,7,12-13,18-21H2,(H,28,30)
InChIKeyBBEYJENOPDGBTO-UHFFFAOYSA-N
XLogP4.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]propanamide
CID 166042846
N-[1-[4-(4-phenoxypiperidin-1-yl)phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide
CID 155465251
N-[1-(4-morpholin-4-ylphenyl)sulfonylpiperidin-3-yl]-3-phenylpropanamide
CID 155465241
N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714978
N-[1-[4-[4-(1,1-difluoroethyl)piperidin-1-yl]phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide
CID 167676993
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide
CID 119424951
N-(2-phenylethyl)-4-[(3S)-3-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 89237464
N-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55889452
3-phenoxy-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 56853055
N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119450219
3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119450862

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide?
The IUPAC name of 3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide (CID 155465315) is 3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide.
What is the SMILES notation for 3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide?
The canonical SMILES for 3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide is O=C(CCc1ccccc1)NC1CCCN(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)C1.
What is the InChIKey of 3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide?
The InChIKey is BBEYJENOPDGBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4S/c30-27(18-13-22-8-3-1-4-9-22)28-24-12-7-19-29(20-24)34(31,32)26-16-14-25(15-17-26)33-21-23-10-5-2-6-11-23/h1-6,8-11,14-17,24H,7,12-13,18-21H2,(H,28,30).
What are the key properties of 3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide?
3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide has a molecular weight of 478.61 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide is sourced from PubChem (CID 155465315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).