N-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

C20H28N4O5S — CID 53085531

IUPACN-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)c(OC)c1
InChIInChI=1S/C20H28N4O5S/c1-14(2)23-12-19(21-13-23)30(26,27)24-9-7-15(8-10-24)20(25)22-17-6-5-16(28-3)11-18(17)29-4/h5-6,11-15H,7-10H2,1-4H3,(H,22,25)
InChIKeyXNTBRWCTBKVKQZ-UHFFFAOYSA-N
MW436.53 g/mol
LogP2.52
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

N-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 53085531) has the molecular formula C20H28N4O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID53085531
Molecular FormulaC20H28N4O5S
Molecular Weight436.53 g/mol
Exact Mass436.18
IUPAC NameN-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)c(OC)c1
InChIInChI=1S/C20H28N4O5S/c1-14(2)23-12-19(21-13-23)30(26,27)24-9-7-15(8-10-24)20(25)22-17-6-5-16(28-3)11-18(17)29-4/h5-6,11-15H,7-10H2,1-4H3,(H,22,25)
InChIKeyXNTBRWCTBKVKQZ-UHFFFAOYSA-N
XLogP2.52
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 53085531) is N-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is XNTBRWCTBKVKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5S/c1-14(2)23-12-19(21-13-23)30(26,27)24-9-7-15(8-10-24)20(25)22-17-6-5-16(28-3)11-18(17)29-4/h5-6,11-15H,7-10H2,1-4H3,(H,22,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53085531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).