5-[5-(methanesulfonamido)-2-phenoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide

C19H19N3O4S — CID 90415492

IUPAC5-[5-(methanesulfonamido)-2-phenoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)cc1C(N)=O
InChIInChI=1S/C19H19N3O4S/c1-12-15(19(20)23)11-17(21-12)16-10-13(22-27(2,24)25)8-9-18(16)26-14-6-4-3-5-7-14/h3-11,21-22H,1-2H3,(H2,20,23)
InChIKeyZZTOGTBTPJGXNS-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.25
Rot. Bonds6

About 5-[5-(methanesulfonamido)-2-phenoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide

5-[5-(methanesulfonamido)-2-phenoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 90415492) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 5-[5-(methanesulfonamido)-2-phenoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(methanesulfonamido)-2-phenoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID90415492
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name5-[5-(methanesulfonamido)-2-phenoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)cc1C(N)=O
InChIInChI=1S/C19H19N3O4S/c1-12-15(19(20)23)11-17(21-12)16-10-13(22-27(2,24)25)8-9-18(16)26-14-6-4-3-5-7-14/h3-11,21-22H,1-2H3,(H2,20,23)
InChIKeyZZTOGTBTPJGXNS-UHFFFAOYSA-N
XLogP3.25
TPSA114.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-Methyl-4-Oxo-4,5,6,7-Tetrahydro-2h-Isoindol-1-Yl)-4-Phenoxyphenyl]methanesulfonamide
CID 71760902
5-[2-(4-Chlorophenoxy)phenyl]-2-Methyl-1h-Pyrrole-3-Carboxamide
CID 90413480
N-[3-(7-Methyl-1-Oxo-2,6-Dihydro-1h-Pyrrolo[3,4-D]pyridazin-5-Yl)-4-Phenoxyphenyl]ethanesulfonamide
CID 135567317
N-[3-(8-methyl-1-oxidanylidene-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide
CID 139341527
N-(benzenesulfonyl)-3-[2-methyl-5-(2-phenylmethoxyphenyl)pyrrol-1-yl]benzamide
CID 44432327
US9776990, Example 46
CID 71812037
1-(5-amino-2-phenoxyphenyl)-3-methyl-2,5,6,7-tetrahydro-4H-isoindol-4-one
CID 71812048
3-Methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one
CID 86270617
N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)phenyl]methanesulfonamide
CID 86271751
2-methyl-5-(2-phenoxyphenyl)-1H-pyrrole-3-carboxamide
CID 86299218
N-[3-(3-methyl-4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)-4-phenoxyphenyl]methanesulfonamide
CID 90387291
5-(5-amino-2-phenoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 90413429

Frequently Asked Questions

What is the IUPAC name of 5-[5-(methanesulfonamido)-2-phenoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[5-(methanesulfonamido)-2-phenoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide (CID 90415492) is 5-[5-(methanesulfonamido)-2-phenoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[5-(methanesulfonamido)-2-phenoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[5-(methanesulfonamido)-2-phenoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)cc1C(N)=O.
What is the InChIKey of 5-[5-(methanesulfonamido)-2-phenoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is ZZTOGTBTPJGXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12-15(19(20)23)11-17(21-12)16-10-13(22-27(2,24)25)8-9-18(16)26-14-6-4-3-5-7-14/h3-11,21-22H,1-2H3,(H2,20,23).
What are the key properties of 5-[5-(methanesulfonamido)-2-phenoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide?
5-[5-(methanesulfonamido)-2-phenoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(methanesulfonamido)-2-phenoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 90415492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).