[2,2-dimethyl-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propyl]carbamic acid

C19H22N4O4S — CID 67216596

IUPAC[2,2-dimethyl-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propyl]carbamic acid
SMILESCc1ccc(S(=O)(=O)n2ccc3nc(C(NC(=O)O)C(C)(C)C)cnc32)cc1
InChIInChI=1S/C19H22N4O4S/c1-12-5-7-13(8-6-12)28(26,27)23-10-9-14-17(23)20-11-15(21-14)16(19(2,3)4)22-18(24)25/h5-11,16,22H,1-4H3,(H,24,25)
InChIKeyMXPVRCWPDJYRKY-UHFFFAOYSA-N
MW402.48 g/mol
LogP3.33
Rot. Bonds4

About [2,2-dimethyl-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propyl]carbamic acid

[2,2-dimethyl-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propyl]carbamic acid (PubChem CID 67216596) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is [2,2-dimethyl-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propyl]carbamic acid.

Molecular Properties

Compound Name[2,2-dimethyl-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propyl]carbamic acid
PubChem CID67216596
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name[2,2-dimethyl-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propyl]carbamic acid
SMILESCc1ccc(S(=O)(=O)n2ccc3nc(C(NC(=O)O)C(C)(C)C)cnc32)cc1
InChIInChI=1S/C19H22N4O4S/c1-12-5-7-13(8-6-12)28(26,27)23-10-9-14-17(23)20-11-15(21-14)16(19(2,3)4)22-18(24)25/h5-11,16,22H,1-4H3,(H,24,25)
InChIKeyMXPVRCWPDJYRKY-UHFFFAOYSA-N
XLogP3.33
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2,2-dimethyl-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propyl]carbamic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(1-azidoethyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
CID 58010150
5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbohydrazide
CID 174659530
5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile
CID 58382109
1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]but-3-en-1-amine
CID 58557193
tert-butyl N-[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]amino]carbamate
CID 58009926
[2,2-dimethyl-1-[4-[2-[2-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]hydrazinyl]-2-oxoethyl]cyclohexyl]propyl]carbamic acid
CID 67999519
2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;methyl 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carboxylate
CID 162025946
methyl-[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]methyl]diazene
CID 143912182
cis-(3R,4S)-3-methyl-4-[2-[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]amino]acetyl]cyclopentan-1-one
CID 89440560
5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 151827977
3-methyl-4-[2-[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]pyrrolidine-1-carboxylic acid
CID 89440448
3-[methyl-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]carbamoyl]piperidine-1-carboxylic acid
CID 175135934

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propyl]carbamic acid?
The IUPAC name of [2,2-dimethyl-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propyl]carbamic acid (CID 67216596) is [2,2-dimethyl-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propyl]carbamic acid.
What is the SMILES notation for [2,2-dimethyl-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propyl]carbamic acid?
The canonical SMILES for [2,2-dimethyl-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propyl]carbamic acid is Cc1ccc(S(=O)(=O)n2ccc3nc(C(NC(=O)O)C(C)(C)C)cnc32)cc1.
What is the InChIKey of [2,2-dimethyl-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propyl]carbamic acid?
The InChIKey is MXPVRCWPDJYRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-12-5-7-13(8-6-12)28(26,27)23-10-9-14-17(23)20-11-15(21-14)16(19(2,3)4)22-18(24)25/h5-11,16,22H,1-4H3,(H,24,25).
What are the key properties of [2,2-dimethyl-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propyl]carbamic acid?
[2,2-dimethyl-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propyl]carbamic acid has a molecular weight of 402.48 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propyl]carbamic acid is sourced from PubChem (CID 67216596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).