4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide

C18H24N4O4S — CID 38891806

IUPAC4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cn1C
InChIInChI=1S/C18H24N4O4S/c1-18(2,3)17(24)20-12-7-6-8-13(9-12)21-27(25,26)14-10-15(16(23)19-4)22(5)11-14/h6-11,21H,1-5H3,(H,19,23)(H,20,24)
InChIKeyNNMLSDZZKWYPJU-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.17
Rot. Bonds5

About 4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide

4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 38891806) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID38891806
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cn1C
InChIInChI=1S/C18H24N4O4S/c1-18(2,3)17(24)20-12-7-6-8-13(9-12)21-27(25,26)14-10-15(16(23)19-4)22(5)11-14/h6-11,21H,1-5H3,(H,19,23)(H,20,24)
InChIKeyNNMLSDZZKWYPJU-UHFFFAOYSA-N
XLogP2.17
TPSA109.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide
CID 39345340
N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 1026291
N-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 55538744
N-[3-[(2-ethyl-1,3-dihydroisoindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 18343259
2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
N,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide
CID 38890446
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide
CID 142040428
4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 126803379
N-[3-[(1-ethyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 18343254
4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 39333240
2,2-dimethyl-N-[3-[(2,3,4-trifluorophenyl)sulfonylamino]phenyl]propanamide
CID 24656547

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide (CID 38891806) is 4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cn1C.
What is the InChIKey of 4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is NNMLSDZZKWYPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-18(2,3)17(24)20-12-7-6-8-13(9-12)21-27(25,26)14-10-15(16(23)19-4)22(5)11-14/h6-11,21H,1-5H3,(H,19,23)(H,20,24).
What are the key properties of 4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 38891806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).