N,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide

C17H23N5O4S — CID 39345340

IUPACN,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2cccc(NC(=O)NC(C)C)c2)cn1C
InChIInChI=1S/C17H23N5O4S/c1-11(2)19-17(24)20-12-6-5-7-13(8-12)21-27(25,26)14-9-15(16(23)18-3)22(4)10-14/h5-11,21H,1-4H3,(H,18,23)(H2,19,20,24)
InChIKeyOGXCZSKJMXUPJU-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.72
Rot. Bonds6

About N,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide

N,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide (PubChem CID 39345340) has the molecular formula C17H23N5O4S and a molecular weight of 393.47 g/mol. Its IUPAC name is N,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide
PubChem CID39345340
Molecular FormulaC17H23N5O4S
Molecular Weight393.47 g/mol
Exact Mass393.15
IUPAC NameN,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2cccc(NC(=O)NC(C)C)c2)cn1C
InChIInChI=1S/C17H23N5O4S/c1-11(2)19-17(24)20-12-6-5-7-13(8-12)21-27(25,26)14-9-15(16(23)18-3)22(4)10-14/h5-11,21H,1-4H3,(H,18,23)(H2,19,20,24)
InChIKeyOGXCZSKJMXUPJU-UHFFFAOYSA-N
XLogP1.72
TPSA121.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 38891806
3-methyl-4-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]butanoic acid
CID 81066158
N,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide
CID 38890446
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55649936
4-[(2-butyl-1,3-dihydroisoindol-5-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 126803379
1,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrole-2-carboxamide
CID 31888506
(2S,3R)-3-hydroxy-2-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]butanoic acid
CID 104935223
ethane;1-methyl-4-(propan-2-ylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide
CID 144745457
4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 39333240
1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36511499
4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115754747
4-[(1-hydroxycyclobutyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115753892

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide?
The IUPAC name of N,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide (CID 39345340) is N,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide?
The canonical SMILES for N,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)Nc2cccc(NC(=O)NC(C)C)c2)cn1C.
What is the InChIKey of N,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide?
The InChIKey is OGXCZSKJMXUPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4S/c1-11(2)19-17(24)20-12-6-5-7-13(8-12)21-27(25,26)14-9-15(16(23)18-3)22(4)10-14/h5-11,21H,1-4H3,(H,18,23)(H2,19,20,24).
What are the key properties of N,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide?
N,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 1.72, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide is sourced from PubChem (CID 39345340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).