N-[[2-(difluoromethyl)-6-methoxyphenyl]methyl]-4-(4-hydroxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrrole-2-carboxamide

C21H27F2N3O5S — CID 177323092

IUPACN-[[2-(difluoromethyl)-6-methoxyphenyl]methyl]-4-(4-hydroxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrrole-2-carboxamide
SMILESCOc1cccc(C(F)F)c1CNC(=O)c1cc(S(=O)(=O)N2CCC(O)CC2)c(C)n1C
InChIInChI=1S/C21H27F2N3O5S/c1-13-19(32(29,30)26-9-7-14(27)8-10-26)11-17(25(13)2)21(28)24-12-16-15(20(22)23)5-4-6-18(16)31-3/h4-6,11,14,20,27H,7-10,12H2,1-3H3,(H,24,28)
InChIKeyOLRATHUJMFUHPY-UHFFFAOYSA-N
MW471.53 g/mol
LogP2.36
Rot. Bonds7

About N-[[2-(difluoromethyl)-6-methoxyphenyl]methyl]-4-(4-hydroxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrrole-2-carboxamide

N-[[2-(difluoromethyl)-6-methoxyphenyl]methyl]-4-(4-hydroxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 177323092) has the molecular formula C21H27F2N3O5S and a molecular weight of 471.53 g/mol. Its IUPAC name is N-[[2-(difluoromethyl)-6-methoxyphenyl]methyl]-4-(4-hydroxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethyl)-6-methoxyphenyl]methyl]-4-(4-hydroxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrrole-2-carboxamide
PubChem CID177323092
Molecular FormulaC21H27F2N3O5S
Molecular Weight471.53 g/mol
Exact Mass471.16
IUPAC NameN-[[2-(difluoromethyl)-6-methoxyphenyl]methyl]-4-(4-hydroxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrrole-2-carboxamide
SMILESCOc1cccc(C(F)F)c1CNC(=O)c1cc(S(=O)(=O)N2CCC(O)CC2)c(C)n1C
InChIInChI=1S/C21H27F2N3O5S/c1-13-19(32(29,30)26-9-7-14(27)8-10-26)11-17(25(13)2)21(28)24-12-16-15(20(22)23)5-4-6-18(16)31-3/h4-6,11,14,20,27H,7-10,12H2,1-3H3,(H,24,28)
InChIKeyOLRATHUJMFUHPY-UHFFFAOYSA-N
XLogP2.36
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[2-(difluoromethyl)-6-methoxyphenyl]methyl]-4-(4-hydroxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxyphenyl)methyl]-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068896
1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide
CID 177323262
methyl 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrole-2-carboxylate
CID 53069077
N-(3,4-dimethoxyphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068846
4-[[(8S)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]sulfonyl]-1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide
CID 177323247
N-[[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990650
1-(2-methoxy-5-methylphenyl)sulfonyl-N-[1-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 43873088
4-methoxy-1-methyl-N-[(1-propylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 46964195
[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 53006313
N-cycloheptyl-1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068779
methyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrole-2-carboxylate
CID 53069031
N-(3-fluorophenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068868

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethyl)-6-methoxyphenyl]methyl]-4-(4-hydroxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[[2-(difluoromethyl)-6-methoxyphenyl]methyl]-4-(4-hydroxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrrole-2-carboxamide (CID 177323092) is N-[[2-(difluoromethyl)-6-methoxyphenyl]methyl]-4-(4-hydroxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethyl)-6-methoxyphenyl]methyl]-4-(4-hydroxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[[2-(difluoromethyl)-6-methoxyphenyl]methyl]-4-(4-hydroxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrrole-2-carboxamide is COc1cccc(C(F)F)c1CNC(=O)c1cc(S(=O)(=O)N2CCC(O)CC2)c(C)n1C.
What is the InChIKey of N-[[2-(difluoromethyl)-6-methoxyphenyl]methyl]-4-(4-hydroxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is OLRATHUJMFUHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N3O5S/c1-13-19(32(29,30)26-9-7-14(27)8-10-26)11-17(25(13)2)21(28)24-12-16-15(20(22)23)5-4-6-18(16)31-3/h4-6,11,14,20,27H,7-10,12H2,1-3H3,(H,24,28).
What are the key properties of N-[[2-(difluoromethyl)-6-methoxyphenyl]methyl]-4-(4-hydroxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrrole-2-carboxamide?
N-[[2-(difluoromethyl)-6-methoxyphenyl]methyl]-4-(4-hydroxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 471.53 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethyl)-6-methoxyphenyl]methyl]-4-(4-hydroxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 177323092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).