N-(2,5-dimethoxyphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide

C19H25N3O6S — CID 3243890

IUPACN-(2,5-dimethoxyphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1
InChIInChI=1S/C19H25N3O6S/c1-12-18(13(2)28-21-12)29(24,25)22-9-7-14(8-10-22)19(23)20-16-11-15(26-3)5-6-17(16)27-4/h5-6,11,14H,7-10H2,1-4H3,(H,20,23)
InChIKeyAIZIVTMFUWKFCD-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.35
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide

N-(2,5-dimethoxyphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 3243890) has the molecular formula C19H25N3O6S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID3243890
Molecular FormulaC19H25N3O6S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC NameN-(2,5-dimethoxyphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1
InChIInChI=1S/C19H25N3O6S/c1-12-18(13(2)28-21-12)29(24,25)22-9-7-14(8-10-22)19(23)20-16-11-15(26-3)5-6-17(16)27-4/h5-6,11,14H,7-10H2,1-4H3,(H,20,23)
InChIKeyAIZIVTMFUWKFCD-UHFFFAOYSA-N
XLogP2.35
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N~2~-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N~1~-(2-ethoxyphenyl)-N~2~-(4-methylphenyl)glycinamide
CID 3244009
1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 3245908
N-(2,5-diethoxyphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 3237587
N-(2,5-diethoxyphenyl)-1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3238457
N~2~-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N~1~-(2-methoxy-5-methylphenyl)-N~2~-(4-methoxyphenyl)glycinamide
CID 3239140
N~1~-(2,5-diethoxyphenyl)-N~2~-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N~2~-(4-methylphenyl)glycinamide
CID 3241947
4-{[(3,5-dimethylisoxazol-4-yl)sulfonyl]amino}-N-(2-methoxyphenyl)benzamide
CID 3243715
N-(2,5-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
CID 5308109
2-[N-(3,5-Dimethylphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]-N-(2-ethoxyphenyl)acetamide
CID 5308470
2-[N-(4-Ethoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]-N-(3-methoxyphenyl)acetamide
CID 5309134
N-(2-Ethoxyphenyl)-1-({5-[(1E)-2-(furan-2-YL)ethenyl]-3-methyl-1,2-oxazol-4-YL}sulfonyl)piperidine-4-carboxamide
CID 16007718
2-(N-(3,5-dimethylisoxazol-4-yl)sulfonyl-4-ethoxy-anilino)-N-o-phenetyl-acetamide
CID 20858914

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide (CID 3243890) is N-(2,5-dimethoxyphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide is COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is AIZIVTMFUWKFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6S/c1-12-18(13(2)28-21-12)29(24,25)22-9-7-14(8-10-22)19(23)20-16-11-15(26-3)5-6-17(16)27-4/h5-6,11,14H,7-10H2,1-4H3,(H,20,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
N-(2,5-dimethoxyphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 3243890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).