N,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide

C18H25N3O3S — CID 38890446

IUPACN,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide
SMILESCCCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NC)n(C)c2)cc1
InChIInChI=1S/C18H25N3O3S/c1-4-5-6-7-14-8-10-15(11-9-14)20-25(23,24)16-12-17(18(22)19-2)21(3)13-16/h8-13,20H,4-7H2,1-3H3,(H,19,22)
InChIKeyRTHUZIATHZZVFA-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.92
Rot. Bonds8

About N,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide

N,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide (PubChem CID 38890446) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide
PubChem CID38890446
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide
SMILESCCCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NC)n(C)c2)cc1
InChIInChI=1S/C18H25N3O3S/c1-4-5-6-7-14-8-10-15(11-9-14)20-25(23,24)16-12-17(18(22)19-2)21(3)13-16/h8-13,20H,4-7H2,1-3H3,(H,19,22)
InChIKeyRTHUZIATHZZVFA-UHFFFAOYSA-N
XLogP2.92
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 39333240
4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 126803379
5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
CID 16780127
4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 38891806
4-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]-1-methylpyrrole-2-carboxamide
CID 25331651
4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 37263793
N,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide
CID 39345340
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 55573254
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide
CID 10289140
N-(4-anilinophenyl)-4-hexylbenzenesulfonamide
CID 84552335
4-(1-aminobutan-2-ylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide
CID 65193315

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide?
The IUPAC name of N,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide (CID 38890446) is N,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide?
The canonical SMILES for N,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide is CCCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NC)n(C)c2)cc1.
What is the InChIKey of N,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide?
The InChIKey is RTHUZIATHZZVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-4-5-6-7-14-8-10-15(11-9-14)20-25(23,24)16-12-17(18(22)19-2)21(3)13-16/h8-13,20H,4-7H2,1-3H3,(H,19,22).
What are the key properties of N,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide?
N,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide is sourced from PubChem (CID 38890446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).