1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide

C22H28N2O5S — CID 31287920

IUPAC1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)ccc3OC)CC2)cc1
InChIInChI=1S/C22H28N2O5S/c1-4-29-18-6-8-19(9-7-18)30(26,27)24-13-11-17(12-14-24)22(25)23-20-15-16(2)5-10-21(20)28-3/h5-10,15,17H,4,11-14H2,1-3H3,(H,23,25)
InChIKeyAQKAHAWBEKHFNI-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.44
Rot. Bonds7

About 1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide

1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide (PubChem CID 31287920) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
PubChem CID31287920
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)ccc3OC)CC2)cc1
InChIInChI=1S/C22H28N2O5S/c1-4-29-18-6-8-19(9-7-18)30(26,27)24-13-11-17(12-14-24)22(25)23-20-15-16(2)5-10-21(20)28-3/h5-10,15,17H,4,11-14H2,1-3H3,(H,23,25)
InChIKeyAQKAHAWBEKHFNI-UHFFFAOYSA-N
XLogP3.44
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 1088323
N-(2-butoxy-5-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55675300
N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893526
N-(2-methoxy-5-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1084118
N-(5-chloro-2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075516
N-(2-methoxy-5-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26414036
N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007617
N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1077678
N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851619
1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 53106245
N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3151849
(3R)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078448

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide (CID 31287920) is 1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide is CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)ccc3OC)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide?
The InChIKey is AQKAHAWBEKHFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-4-29-18-6-8-19(9-7-18)30(26,27)24-13-11-17(12-14-24)22(25)23-20-15-16(2)5-10-21(20)28-3/h5-10,15,17H,4,11-14H2,1-3H3,(H,23,25).
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide?
1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide has a molecular weight of 432.54 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 31287920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).