cyclopentanol;N-(3,4-difluorophenyl)-3-methoxy-1-methyl-4-sulfinamoylpyrrole-2-carboxamide

C18H23F2N3O4S — CID 153400946

IUPACcyclopentanol;N-(3,4-difluorophenyl)-3-methoxy-1-methyl-4-sulfinamoylpyrrole-2-carboxamide
SMILESCOc1c(S(N)=O)cn(C)c1C(=O)Nc1ccc(F)c(F)c1.OC1CCCC1
InChIInChI=1S/C13H13F2N3O3S.C5H10O/c1-18-6-10(22(16)20)12(21-2)11(18)13(19)17-7-3-4-8(14)9(15)5-7;6-5-3-1-2-4-5/h3-6H,16H2,1-2H3,(H,17,19);5-6H,1-4H2
InChIKeyQBDOHLRWAXOFAL-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.47
Rot. Bonds4

About cyclopentanol;N-(3,4-difluorophenyl)-3-methoxy-1-methyl-4-sulfinamoylpyrrole-2-carboxamide

cyclopentanol;N-(3,4-difluorophenyl)-3-methoxy-1-methyl-4-sulfinamoylpyrrole-2-carboxamide (PubChem CID 153400946) has the molecular formula C18H23F2N3O4S and a molecular weight of 415.46 g/mol. Its IUPAC name is cyclopentanol;N-(3,4-difluorophenyl)-3-methoxy-1-methyl-4-sulfinamoylpyrrole-2-carboxamide.

Molecular Properties

Compound Namecyclopentanol;N-(3,4-difluorophenyl)-3-methoxy-1-methyl-4-sulfinamoylpyrrole-2-carboxamide
PubChem CID153400946
Molecular FormulaC18H23F2N3O4S
Molecular Weight415.46 g/mol
Exact Mass415.14
IUPAC Namecyclopentanol;N-(3,4-difluorophenyl)-3-methoxy-1-methyl-4-sulfinamoylpyrrole-2-carboxamide
SMILESCOc1c(S(N)=O)cn(C)c1C(=O)Nc1ccc(F)c(F)c1.OC1CCCC1
InChIInChI=1S/C13H13F2N3O3S.C5H10O/c1-18-6-10(22(16)20)12(21-2)11(18)13(19)17-7-3-4-8(14)9(15)5-7;6-5-3-1-2-4-5/h3-6H,16H2,1-2H3,(H,17,19);5-6H,1-4H2
InChIKeyQBDOHLRWAXOFAL-UHFFFAOYSA-N
XLogP2.47
TPSA106.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cyclopentanol;N-(3,4-difluorophenyl)-3-methoxy-1-methyl-4-sulfinamoylpyrrole-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-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methyl-4-sulfinamoyl-3-(4,4,4-trifluoro-3-hydroxybutoxy)pyrrole-2-carboxamide
CID 154682223
4-[2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethoxy]-5-[(3,4-difluorophenyl)carbamoyl]-1-methylpyrrole-3-sulfinate
CID 139471080
N-(3-cyano-4-fluorophenyl)-1-methyl-3-(2-methylhex-5-enoxy)-4-sulfinamoylpyrrole-2-carboxamide
CID 154682030
(3R)-N-(3,4-difluorophenyl)-3-[(1S)-1-hydroxyethyl]-1-imino-7-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[3,4-f]thiazepine-6-carboxamide
CID 146608823
N-(3,4-difluorophenyl)-3-fluoro-4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 146336930
4-[[(2S,3R)-1-carboxy-2-(hydroxymethyl)pyrrolidin-3-yl]-sulfinatoamino]-2-[(3,4-difluorophenyl)carbamoyl]-3-fluoro-1-methylpyrrole
CID 146346688
(8Z)-N-(3,4-difluorophenyl)-4,13-dimethyl-2-thia-3,13-diazabicyclo[9.3.0]tetradeca-1(14),8,11-triene-12-carboxamide
CID 139471208
3-cyclohexyl-N-(3,4-difluorophenyl)-1-imino-7-methyl-1-oxo-2,3-dihydropyrrolo[3,4-f]thiazepine-6-carboxamide
CID 155426095
(3S)-N-(3,4-difluorophenyl)-1-imino-3,7-dimethyl-1-oxo-2,3,4,5-tetrahydropyrrolo[3,4-f]thiazepine-6-carboxamide;methane;sulfane
CID 157465427
N-(3,4-difluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 30101240
N-(3,4-difluorophenyl)-3-fluoro-4-[(4-hydroxyoxolan-3-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 146336928
3-fluoro-N-(4-fluoro-3-methylphenyl)-4-[4-(hydroxymethyl)-1-methylpiperidin-3-yl]sulfinamoyl-1-methylpyrrole-2-carboxamide
CID 146363159

Frequently Asked Questions

What is the IUPAC name of cyclopentanol;N-(3,4-difluorophenyl)-3-methoxy-1-methyl-4-sulfinamoylpyrrole-2-carboxamide?
The IUPAC name of cyclopentanol;N-(3,4-difluorophenyl)-3-methoxy-1-methyl-4-sulfinamoylpyrrole-2-carboxamide (CID 153400946) is cyclopentanol;N-(3,4-difluorophenyl)-3-methoxy-1-methyl-4-sulfinamoylpyrrole-2-carboxamide.
What is the SMILES notation for cyclopentanol;N-(3,4-difluorophenyl)-3-methoxy-1-methyl-4-sulfinamoylpyrrole-2-carboxamide?
The canonical SMILES for cyclopentanol;N-(3,4-difluorophenyl)-3-methoxy-1-methyl-4-sulfinamoylpyrrole-2-carboxamide is COc1c(S(N)=O)cn(C)c1C(=O)Nc1ccc(F)c(F)c1.OC1CCCC1.
What is the InChIKey of cyclopentanol;N-(3,4-difluorophenyl)-3-methoxy-1-methyl-4-sulfinamoylpyrrole-2-carboxamide?
The InChIKey is QBDOHLRWAXOFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O3S.C5H10O/c1-18-6-10(22(16)20)12(21-2)11(18)13(19)17-7-3-4-8(14)9(15)5-7;6-5-3-1-2-4-5/h3-6H,16H2,1-2H3,(H,17,19);5-6H,1-4H2.
What are the key properties of cyclopentanol;N-(3,4-difluorophenyl)-3-methoxy-1-methyl-4-sulfinamoylpyrrole-2-carboxamide?
cyclopentanol;N-(3,4-difluorophenyl)-3-methoxy-1-methyl-4-sulfinamoylpyrrole-2-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanol;N-(3,4-difluorophenyl)-3-methoxy-1-methyl-4-sulfinamoylpyrrole-2-carboxamide is sourced from PubChem (CID 153400946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).