N-[[1-[2-(methanesulfonamido)-3-methylbutanoyl]-3-methylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide

C19H31N5O4S — CID 167885320

IUPACN-[[1-[2-(methanesulfonamido)-3-methylbutanoyl]-3-methylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
SMILESCC(C)C(NS(C)(=O)=O)C(=O)N1CCC(C)C1CNC(=O)c1cn2c(n1)CCC2
InChIInChI=1S/C19H31N5O4S/c1-12(2)17(22-29(4,27)28)19(26)24-9-7-13(3)15(24)10-20-18(25)14-11-23-8-5-6-16(23)21-14/h11-13,15,17,22H,5-10H2,1-4H3,(H,20,25)
InChIKeyXQCYFYTZDJAHMK-UHFFFAOYSA-N
MW425.56 g/mol
LogP0.37
Rot. Bonds7

About N-[[1-[2-(methanesulfonamido)-3-methylbutanoyl]-3-methylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide

N-[[1-[2-(methanesulfonamido)-3-methylbutanoyl]-3-methylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide (PubChem CID 167885320) has the molecular formula C19H31N5O4S and a molecular weight of 425.56 g/mol. Its IUPAC name is N-[[1-[2-(methanesulfonamido)-3-methylbutanoyl]-3-methylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(methanesulfonamido)-3-methylbutanoyl]-3-methylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
PubChem CID167885320
Molecular FormulaC19H31N5O4S
Molecular Weight425.56 g/mol
Exact Mass425.21
IUPAC NameN-[[1-[2-(methanesulfonamido)-3-methylbutanoyl]-3-methylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
SMILESCC(C)C(NS(C)(=O)=O)C(=O)N1CCC(C)C1CNC(=O)c1cn2c(n1)CCC2
InChIInChI=1S/C19H31N5O4S/c1-12(2)17(22-29(4,27)28)19(26)24-9-7-13(3)15(24)10-20-18(25)14-11-23-8-5-6-16(23)21-14/h11-13,15,17,22H,5-10H2,1-4H3,(H,20,25)
InChIKeyXQCYFYTZDJAHMK-UHFFFAOYSA-N
XLogP0.37
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[1-[2-(methanesulfonamido)-3-methylbutanoyl]-3-methylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(methanesulfonamido)-3-methylbutanoyl]-3-methylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
The IUPAC name of N-[[1-[2-(methanesulfonamido)-3-methylbutanoyl]-3-methylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide (CID 167885320) is N-[[1-[2-(methanesulfonamido)-3-methylbutanoyl]-3-methylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(methanesulfonamido)-3-methylbutanoyl]-3-methylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
The canonical SMILES for N-[[1-[2-(methanesulfonamido)-3-methylbutanoyl]-3-methylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide is CC(C)C(NS(C)(=O)=O)C(=O)N1CCC(C)C1CNC(=O)c1cn2c(n1)CCC2.
What is the InChIKey of N-[[1-[2-(methanesulfonamido)-3-methylbutanoyl]-3-methylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
The InChIKey is XQCYFYTZDJAHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O4S/c1-12(2)17(22-29(4,27)28)19(26)24-9-7-13(3)15(24)10-20-18(25)14-11-23-8-5-6-16(23)21-14/h11-13,15,17,22H,5-10H2,1-4H3,(H,20,25).
What are the key properties of N-[[1-[2-(methanesulfonamido)-3-methylbutanoyl]-3-methylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
N-[[1-[2-(methanesulfonamido)-3-methylbutanoyl]-3-methylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide has a molecular weight of 425.56 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(methanesulfonamido)-3-methylbutanoyl]-3-methylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide is sourced from PubChem (CID 167885320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).