2,2-dimethyl-N-(4-methylphenyl)sulfonyl-5-oxopyrrole-1-carboxamide

C14H16N2O4S — CID 137375505

IUPAC2,2-dimethyl-N-(4-methylphenyl)sulfonyl-5-oxopyrrole-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2C(=O)C=CC2(C)C)cc1
InChIInChI=1S/C14H16N2O4S/c1-10-4-6-11(7-5-10)21(19,20)15-13(18)16-12(17)8-9-14(16,2)3/h4-9H,1-3H3,(H,15,18)
InChIKeyXWZZHBCKIOBMDL-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.57
Rot. Bonds2

About 2,2-dimethyl-N-(4-methylphenyl)sulfonyl-5-oxopyrrole-1-carboxamide

2,2-dimethyl-N-(4-methylphenyl)sulfonyl-5-oxopyrrole-1-carboxamide (PubChem CID 137375505) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methylphenyl)sulfonyl-5-oxopyrrole-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methylphenyl)sulfonyl-5-oxopyrrole-1-carboxamide
PubChem CID137375505
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name2,2-dimethyl-N-(4-methylphenyl)sulfonyl-5-oxopyrrole-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2C(=O)C=CC2(C)C)cc1
InChIInChI=1S/C14H16N2O4S/c1-10-4-6-11(7-5-10)21(19,20)15-13(18)16-12(17)8-9-14(16,2)3/h4-9H,1-3H3,(H,15,18)
InChIKeyXWZZHBCKIOBMDL-UHFFFAOYSA-N
XLogP1.57
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110749471
(4-methylphenyl)sulfonylurea;urea
CID 160676948
N-(4-methylphenyl)sulfonyl-2,4-dioxopyrimidine-1-carboxamide
CID 4089449
3-amino-N-(4-methylphenyl)sulfonyl-2-oxoazetidine-1-carboxamide
CID 23322466
1,1,3-tris-(4-methylphenyl)sulfonylurea
CID 91086807
2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 3434753
N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
CID 25047509
4-bromo-5-methyl-N-(4-methylphenyl)sulfonyl-5H-1,2-thiazole-2-carboxamide
CID 67924942
1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea
CID 19387723
4-ethyl-2,2-dimethyl-N-(4-methylphenyl)sulfonyl-1,3-oxazolidine-3-carboxamide
CID 132519381
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methylphenyl)sulfonyl-5-oxopyrrole-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(4-methylphenyl)sulfonyl-5-oxopyrrole-1-carboxamide (CID 137375505) is 2,2-dimethyl-N-(4-methylphenyl)sulfonyl-5-oxopyrrole-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-methylphenyl)sulfonyl-5-oxopyrrole-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(4-methylphenyl)sulfonyl-5-oxopyrrole-1-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)N2C(=O)C=CC2(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-(4-methylphenyl)sulfonyl-5-oxopyrrole-1-carboxamide?
The InChIKey is XWZZHBCKIOBMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-10-4-6-11(7-5-10)21(19,20)15-13(18)16-12(17)8-9-14(16,2)3/h4-9H,1-3H3,(H,15,18).
What are the key properties of 2,2-dimethyl-N-(4-methylphenyl)sulfonyl-5-oxopyrrole-1-carboxamide?
2,2-dimethyl-N-(4-methylphenyl)sulfonyl-5-oxopyrrole-1-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methylphenyl)sulfonyl-5-oxopyrrole-1-carboxamide is sourced from PubChem (CID 137375505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).