5-acetyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide

C19H18N2O4S — CID 506877

IUPAC5-acetyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
SMILESCC(=O)c1ccc2[nH]c(C(N)=O)c(S(=O)(=O)c3cc(C)cc(C)c3)c2c1
InChIInChI=1S/C19H18N2O4S/c1-10-6-11(2)8-14(7-10)26(24,25)18-15-9-13(12(3)22)4-5-16(15)21-17(18)19(20)23/h4-9,21H,1-3H3,(H2,20,23)
InChIKeyCUCYAKKIDPRJAW-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.92
Rot. Bonds4

About 5-acetyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide

5-acetyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide (PubChem CID 506877) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 5-acetyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
PubChem CID506877
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name5-acetyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
SMILESCC(=O)c1ccc2[nH]c(C(N)=O)c(S(=O)(=O)c3cc(C)cc(C)c3)c2c1
InChIInChI=1S/C19H18N2O4S/c1-10-6-11(2)8-14(7-10)26(24,25)18-15-9-13(12(3)22)4-5-16(15)21-17(18)19(20)23/h4-9,21H,1-3H3,(H2,20,23)
InChIKeyCUCYAKKIDPRJAW-UHFFFAOYSA-N
XLogP2.92
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
The IUPAC name of 5-acetyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide (CID 506877) is 5-acetyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-acetyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-acetyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide is CC(=O)c1ccc2[nH]c(C(N)=O)c(S(=O)(=O)c3cc(C)cc(C)c3)c2c1.
What is the InChIKey of 5-acetyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
The InChIKey is CUCYAKKIDPRJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-10-6-11(2)8-14(7-10)26(24,25)18-15-9-13(12(3)22)4-5-16(15)21-17(18)19(20)23/h4-9,21H,1-3H3,(H2,20,23).
What are the key properties of 5-acetyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
5-acetyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide is sourced from PubChem (CID 506877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).