N-[4-(butylsulfonylamino)phenyl]-1-methylpyrrole-2-carboxamide

C16H21N3O3S — CID 71874430

IUPACN-[4-(butylsulfonylamino)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)c2cccn2C)cc1
InChIInChI=1S/C16H21N3O3S/c1-3-4-12-23(21,22)18-14-9-7-13(8-10-14)17-16(20)15-6-5-11-19(15)2/h5-11,18H,3-4,12H2,1-2H3,(H,17,20)
InChIKeyMUBKCQQLNJSSNO-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.82
Rot. Bonds7

About N-[4-(butylsulfonylamino)phenyl]-1-methylpyrrole-2-carboxamide

N-[4-(butylsulfonylamino)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 71874430) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[4-(butylsulfonylamino)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(butylsulfonylamino)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID71874430
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[4-(butylsulfonylamino)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)c2cccn2C)cc1
InChIInChI=1S/C16H21N3O3S/c1-3-4-12-23(21,22)18-14-9-7-13(8-10-14)17-16(20)15-6-5-11-19(15)2/h5-11,18H,3-4,12H2,1-2H3,(H,17,20)
InChIKeyMUBKCQQLNJSSNO-UHFFFAOYSA-N
XLogP2.82
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(butylsulfonylamino)phenyl]-1-methylpyrrole-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-iodophenyl)-1-methylpyrrole-2-carboxamide
CID 4791148
1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide
CID 139398325
N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119800492
N-(4-benzoylphenyl)butane-1-sulfonamide
CID 21486671
5-amino-N-[4-(butylsulfonylamino)phenyl]-2-methylbenzamide
CID 120635515
N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119800501
(2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid
CID 129401452
(2E,4E)-N-[4-(butylsulfonylamino)phenyl]hexa-2,4-dienamide
CID 75533656
N-[4-(hydrazinecarbonyl)phenyl]pentane-1-sulfonamide
CID 67849300
5-[[4-(butylsulfonylamino)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822028
1-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide
CID 119333202
N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide
CID 142682977

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylsulfonylamino)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[4-(butylsulfonylamino)phenyl]-1-methylpyrrole-2-carboxamide (CID 71874430) is N-[4-(butylsulfonylamino)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[4-(butylsulfonylamino)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[4-(butylsulfonylamino)phenyl]-1-methylpyrrole-2-carboxamide is CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cccn2C)cc1.
What is the InChIKey of N-[4-(butylsulfonylamino)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is MUBKCQQLNJSSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-3-4-12-23(21,22)18-14-9-7-13(8-10-14)17-16(20)15-6-5-11-19(15)2/h5-11,18H,3-4,12H2,1-2H3,(H,17,20).
What are the key properties of N-[4-(butylsulfonylamino)phenyl]-1-methylpyrrole-2-carboxamide?
N-[4-(butylsulfonylamino)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylsulfonylamino)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 71874430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).