3-phenyl-N-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]propanamide

C23H30N2O4S — CID 166042846

IUPAC3-phenyl-N-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]propanamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCCC(NC(=O)CCc3ccccc3)C2)cc1
InChIInChI=1S/C23H30N2O4S/c1-18(2)29-21-11-13-22(14-12-21)30(27,28)25-16-6-9-20(17-25)24-23(26)15-10-19-7-4-3-5-8-19/h3-5,7-8,11-14,18,20H,6,9-10,15-17H2,1-2H3,(H,24,26)
InChIKeyDVKJBSKTEDZQFD-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.38
Rot. Bonds8

About 3-phenyl-N-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]propanamide

3-phenyl-N-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]propanamide (PubChem CID 166042846) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 3-phenyl-N-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]propanamide
PubChem CID166042846
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name3-phenyl-N-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]propanamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCCC(NC(=O)CCc3ccccc3)C2)cc1
InChIInChI=1S/C23H30N2O4S/c1-18(2)29-21-11-13-22(14-12-21)30(27,28)25-16-6-9-20(17-25)24-23(26)15-10-19-7-4-3-5-8-19/h3-5,7-8,11-14,18,20H,6,9-10,15-17H2,1-2H3,(H,24,26)
InChIKeyDVKJBSKTEDZQFD-UHFFFAOYSA-N
XLogP3.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide
CID 155465315
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-[1-[4-[4-(1,1-difluoroethyl)piperidin-1-yl]phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide
CID 167676993
(3R)-1-(benzenesulfonyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 100659745
N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714978
(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 100670759
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
1-(4-methoxyphenyl)sulfonyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 53282820
(3R)-1-(benzenesulfonyl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 93476471
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
(3S)-1-(3-phenylpropylsulfonyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 92646552

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]propanamide?
The IUPAC name of 3-phenyl-N-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]propanamide (CID 166042846) is 3-phenyl-N-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]propanamide.
What is the SMILES notation for 3-phenyl-N-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]propanamide?
The canonical SMILES for 3-phenyl-N-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]propanamide is CC(C)Oc1ccc(S(=O)(=O)N2CCCC(NC(=O)CCc3ccccc3)C2)cc1.
What is the InChIKey of 3-phenyl-N-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]propanamide?
The InChIKey is DVKJBSKTEDZQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-18(2)29-21-11-13-22(14-12-21)30(27,28)25-16-6-9-20(17-25)24-23(26)15-10-19-7-4-3-5-8-19/h3-5,7-8,11-14,18,20H,6,9-10,15-17H2,1-2H3,(H,24,26).
What are the key properties of 3-phenyl-N-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]propanamide?
3-phenyl-N-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]propanamide has a molecular weight of 430.57 g/mol, XLogP of 3.38, 8 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-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]propanamide is sourced from PubChem (CID 166042846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).