N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide

C23H27N3O4S — CID 55929096

IUPACN-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C
InChIInChI=1S/C23H27N3O4S/c1-14(2)17-7-6-8-18(12-17)26-15(3)11-20(16(26)4)23(27)25-21-13-19(31(24,28)29)9-10-22(21)30-5/h6-14H,1-5H3,(H,25,27)(H2,24,28,29)
InChIKeyBLTNDGLVBBZMPF-UHFFFAOYSA-N
MW441.55 g/mol
LogP4.13
Rot. Bonds6

About N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide

N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide (PubChem CID 55929096) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide
PubChem CID55929096
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C
InChIInChI=1S/C23H27N3O4S/c1-14(2)17-7-6-8-18(12-17)26-15(3)11-20(16(26)4)23(27)25-21-13-19(31(24,28)29)9-10-22(21)30-5/h6-14H,1-5H3,(H,25,27)(H2,24,28,29)
InChIKeyBLTNDGLVBBZMPF-UHFFFAOYSA-N
XLogP4.13
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 55471799
2,5-dimethyl-1-(3-propan-2-ylphenyl)-N-[(3-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
CID 60509128
2,5-dimethyl-1-(3-propan-2-ylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-3-carboxamide
CID 46458623
N-(5-acetamido-2-methoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 29294399
N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
2,5-dimethyl-1-(3-propan-2-ylphenyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrole-3-carboxamide
CID 47055269
N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 26695119
N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842548
N-(2-methoxy-5-sulfamoylphenyl)furan-3-carboxamide
CID 47129641
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 55471494
N-(2-methoxy-5-sulfamoylphenyl)pyridazine-4-carboxamide
CID 115742519
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 55702473

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide (CID 55929096) is N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide is COc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C.
What is the InChIKey of N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide?
The InChIKey is BLTNDGLVBBZMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-14(2)17-7-6-8-18(12-17)26-15(3)11-20(16(26)4)23(27)25-21-13-19(31(24,28)29)9-10-22(21)30-5/h6-14H,1-5H3,(H,25,27)(H2,24,28,29).
What are the key properties of N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide?
N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 55929096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).