N-(3,4-dimethylphenyl)-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]acetamide

C19H22N2O3S — CID 67464654

IUPACN-(3,4-dimethylphenyl)-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]acetamide
SMILESCC(=O)N(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc2c(c1)CC(C)N2
InChIInChI=1S/C19H22N2O3S/c1-12-5-6-17(9-13(12)2)21(15(4)22)25(23,24)18-7-8-19-16(11-18)10-14(3)20-19/h5-9,11,14,20H,10H2,1-4H3
InChIKeyDGDZIIFQDOMZNU-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.40
Rot. Bonds3

About N-(3,4-dimethylphenyl)-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]acetamide

N-(3,4-dimethylphenyl)-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]acetamide (PubChem CID 67464654) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]acetamide
PubChem CID67464654
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(3,4-dimethylphenyl)-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]acetamide
SMILESCC(=O)N(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc2c(c1)CC(C)N2
InChIInChI=1S/C19H22N2O3S/c1-12-5-6-17(9-13(12)2)21(15(4)22)25(23,24)18-7-8-19-16(11-18)10-14(3)20-19/h5-9,11,14,20H,10H2,1-4H3
InChIKeyDGDZIIFQDOMZNU-UHFFFAOYSA-N
XLogP3.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]acetamide (CID 67464654) is N-(3,4-dimethylphenyl)-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]acetamide is CC(=O)N(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc2c(c1)CC(C)N2.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]acetamide?
The InChIKey is DGDZIIFQDOMZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-12-5-6-17(9-13(12)2)21(15(4)22)25(23,24)18-7-8-19-16(11-18)10-14(3)20-19/h5-9,11,14,20H,10H2,1-4H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]acetamide?
N-(3,4-dimethylphenyl)-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]acetamide has a molecular weight of 358.46 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]acetamide is sourced from PubChem (CID 67464654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).