N-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-5-phenylpyrrole-2-carboxamide

C17H23N3O3S — CID 71999437

IUPACN-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-5-phenylpyrrole-2-carboxamide
SMILESCn1c(C(=O)NCC(C)(C)NS(C)(=O)=O)ccc1-c1ccccc1
InChIInChI=1S/C17H23N3O3S/c1-17(2,19-24(4,22)23)12-18-16(21)15-11-10-14(20(15)3)13-8-6-5-7-9-13/h5-11,19H,12H2,1-4H3,(H,18,21)
InChIKeyOGSQBEWWVQFRAF-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.75
Rot. Bonds6

About N-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-5-phenylpyrrole-2-carboxamide

N-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-5-phenylpyrrole-2-carboxamide (PubChem CID 71999437) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-5-phenylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-5-phenylpyrrole-2-carboxamide
PubChem CID71999437
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-5-phenylpyrrole-2-carboxamide
SMILESCn1c(C(=O)NCC(C)(C)NS(C)(=O)=O)ccc1-c1ccccc1
InChIInChI=1S/C17H23N3O3S/c1-17(2,19-24(4,22)23)12-18-16(21)15-11-10-14(20(15)3)13-8-6-5-7-9-13/h5-11,19H,12H2,1-4H3,(H,18,21)
InChIKeyOGSQBEWWVQFRAF-UHFFFAOYSA-N
XLogP1.75
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-5-phenylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-5-phenylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-5-phenylpyrrole-2-carboxamide (CID 71999437) is N-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-5-phenylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-5-phenylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-5-phenylpyrrole-2-carboxamide is Cn1c(C(=O)NCC(C)(C)NS(C)(=O)=O)ccc1-c1ccccc1.
What is the InChIKey of N-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-5-phenylpyrrole-2-carboxamide?
The InChIKey is OGSQBEWWVQFRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-17(2,19-24(4,22)23)12-18-16(21)15-11-10-14(20(15)3)13-8-6-5-7-9-13/h5-11,19H,12H2,1-4H3,(H,18,21).
What are the key properties of N-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-5-phenylpyrrole-2-carboxamide?
N-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-5-phenylpyrrole-2-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-5-phenylpyrrole-2-carboxamide is sourced from PubChem (CID 71999437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).