N-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide

C14H25N3O3S — CID 114612236

IUPACN-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCCn1cc(S(N)(=O)=O)cc1C(=O)N(C)CCC(C)C
InChIInChI=1S/C14H25N3O3S/c1-5-7-17-10-12(21(15,19)20)9-13(17)14(18)16(4)8-6-11(2)3/h9-11H,5-8H2,1-4H3,(H2,15,19,20)
InChIKeyYOOSYSXWHQXFLT-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.66
Rot. Bonds7

About N-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide

N-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114612236) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114612236
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCCn1cc(S(N)(=O)=O)cc1C(=O)N(C)CCC(C)C
InChIInChI=1S/C14H25N3O3S/c1-5-7-17-10-12(21(15,19)20)9-13(17)14(18)16(4)8-6-11(2)3/h9-11H,5-8H2,1-4H3,(H2,15,19,20)
InChIKeyYOOSYSXWHQXFLT-UHFFFAOYSA-N
XLogP1.66
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612217
1-ethyl-N-methyl-N-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612124
4-methylpentyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612732
2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612702
5-[methyl(2-methylbutyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
CID 114611196
N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612108
5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
CID 114611119
butan-2-yl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612651
N-(2,2-dimethylpropyl)-1-ethyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612280
4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 43644518
3-methylbutyl 1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylate
CID 114612712
1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611174

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide (CID 114612236) is N-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide is CCCn1cc(S(N)(=O)=O)cc1C(=O)N(C)CCC(C)C.
What is the InChIKey of N-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is YOOSYSXWHQXFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-5-7-17-10-12(21(15,19)20)9-13(17)14(18)16(4)8-6-11(2)3/h9-11H,5-8H2,1-4H3,(H2,15,19,20).
What are the key properties of N-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide?
N-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114612236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).