1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide

C14H23N3O3S — CID 114612371

IUPAC1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide
SMILESCCC(C)(C)N(C)C(=O)c1cc(S(N)(=O)=O)cn1C1CC1
InChIInChI=1S/C14H23N3O3S/c1-5-14(2,3)16(4)13(18)12-8-11(21(15,19)20)9-17(12)10-6-7-10/h8-10H,5-7H2,1-4H3,(H2,15,19,20)
InChIKeyLVMOYJYQOZDZBA-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.73
Rot. Bonds5

About 1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide

1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114612371) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114612371
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide
SMILESCCC(C)(C)N(C)C(=O)c1cc(S(N)(=O)=O)cn1C1CC1
InChIInChI=1S/C14H23N3O3S/c1-5-14(2,3)16(4)13(18)12-8-11(21(15,19)20)9-17(12)10-6-7-10/h8-10H,5-7H2,1-4H3,(H2,15,19,20)
InChIKeyLVMOYJYQOZDZBA-UHFFFAOYSA-N
XLogP1.73
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide (CID 114612371) is 1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide is CCC(C)(C)N(C)C(=O)c1cc(S(N)(=O)=O)cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is LVMOYJYQOZDZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-5-14(2,3)16(4)13(18)12-8-11(21(15,19)20)9-17(12)10-6-7-10/h8-10H,5-7H2,1-4H3,(H2,15,19,20).
What are the key properties of 1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide?
1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 313.42 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114612371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).