4-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]-1-propan-2-ylpyrrole-2-carboxamide

C13H22BrN3O3S — CID 63864747

IUPAC4-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C13H22BrN3O3S/c1-9(2)17-7-10(14)6-11(17)12(18)15-8-13(3,4)16-21(5,19)20/h6-7,9,16H,8H2,1-5H3,(H,15,18)
InChIKeyGMYGHHYMNMDRGT-UHFFFAOYSA-N
MW380.31 g/mol
LogP1.89
Rot. Bonds6

About 4-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 63864747) has the molecular formula C13H22BrN3O3S and a molecular weight of 380.31 g/mol. Its IUPAC name is 4-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID63864747
Molecular FormulaC13H22BrN3O3S
Molecular Weight380.31 g/mol
Exact Mass379.06
IUPAC Name4-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C13H22BrN3O3S/c1-9(2)17-7-10(14)6-11(17)12(18)15-8-13(3,4)16-21(5,19)20/h6-7,9,16H,8H2,1-5H3,(H,15,18)
InChIKeyGMYGHHYMNMDRGT-UHFFFAOYSA-N
XLogP1.89
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 63864747) is 4-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Br)cc1C(=O)NCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of 4-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is GMYGHHYMNMDRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O3S/c1-9(2)17-7-10(14)6-11(17)12(18)15-8-13(3,4)16-21(5,19)20/h6-7,9,16H,8H2,1-5H3,(H,15,18).
What are the key properties of 4-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 380.31 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 63864747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).