N-[3-(butylsulfamoyl)phenyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

C20H28N4O6S2 — CID 24532844

IUPACN-[3-(butylsulfamoyl)phenyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1
InChIInChI=1S/C20H28N4O6S2/c1-3-4-8-21-31(26,27)17-7-5-6-16(13-17)22-20(25)19-14-18(15-23(19)2)32(28,29)24-9-11-30-12-10-24/h5-7,13-15,21H,3-4,8-12H2,1-2H3,(H,22,25)
InChIKeyBORRVABXPALFBC-UHFFFAOYSA-N
MW484.60 g/mol
LogP1.38
Rot. Bonds9

About N-[3-(butylsulfamoyl)phenyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

N-[3-(butylsulfamoyl)phenyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (PubChem CID 24532844) has the molecular formula C20H28N4O6S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[3-(butylsulfamoyl)phenyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(butylsulfamoyl)phenyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
PubChem CID24532844
Molecular FormulaC20H28N4O6S2
Molecular Weight484.60 g/mol
Exact Mass484.15
IUPAC NameN-[3-(butylsulfamoyl)phenyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1
InChIInChI=1S/C20H28N4O6S2/c1-3-4-8-21-31(26,27)17-7-5-6-16(13-17)22-20(25)19-14-18(15-23(19)2)32(28,29)24-9-11-30-12-10-24/h5-7,13-15,21H,3-4,8-12H2,1-2H3,(H,22,25)
InChIKeyBORRVABXPALFBC-UHFFFAOYSA-N
XLogP1.38
TPSA126.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17411212
1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17407087
1-butyl-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680401
1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55573958
N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17425555
N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46409717
1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17405267
1-methyl-4-morpholin-4-ylsulfonyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 22519089
N-(2-aminoethyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 28818964
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22576668
N-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519046
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylsulfamoyl)phenyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-[3-(butylsulfamoyl)phenyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (CID 24532844) is N-[3-(butylsulfamoyl)phenyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(butylsulfamoyl)phenyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-[3-(butylsulfamoyl)phenyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is CCCCNS(=O)(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1.
What is the InChIKey of N-[3-(butylsulfamoyl)phenyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is BORRVABXPALFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O6S2/c1-3-4-8-21-31(26,27)17-7-5-6-16(13-17)22-20(25)19-14-18(15-23(19)2)32(28,29)24-9-11-30-12-10-24/h5-7,13-15,21H,3-4,8-12H2,1-2H3,(H,22,25).
What are the key properties of N-[3-(butylsulfamoyl)phenyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
N-[3-(butylsulfamoyl)phenyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylsulfamoyl)phenyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 24532844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).