5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide

C14H16N2O2S2 — CID 110729387

IUPAC5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C)s1
InChIInChI=1S/C14H16N2O2S2/c1-10-3-6-14(19-10)20(17,18)15-12-4-5-13-11(9-12)7-8-16(13)2/h3-6,9,15H,7-8H2,1-2H3
InChIKeyOFGVHPJDZIUCRO-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.85
Rot. Bonds3

About 5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide

5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide (PubChem CID 110729387) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide
PubChem CID110729387
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C)s1
InChIInChI=1S/C14H16N2O2S2/c1-10-3-6-14(19-10)20(17,18)15-12-4-5-13-11(9-12)7-8-16(13)2/h3-6,9,15H,7-8H2,1-2H3
InChIKeyOFGVHPJDZIUCRO-UHFFFAOYSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide
CID 7498939
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-methylthiophene-2-sulfonamide
CID 40889525
2-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide
CID 110729408
5-methyl-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7636189
3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide
CID 110729389
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-methylthiophene-2-sulfonamide
CID 7498873
5-methyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]thiophene-2-sulfonamide
CID 16926187
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-methylthiophene-2-sulfonamide
CID 16944214
N-(9H-fluoren-2-yl)-5-methylthiophene-2-sulfonamide
CID 39948680
N-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide
CID 110729382
5-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide
CID 43990508
N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 16907069

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide (CID 110729387) is 5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C)s1.
What is the InChIKey of 5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide?
The InChIKey is OFGVHPJDZIUCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-10-3-6-14(19-10)20(17,18)15-12-4-5-13-11(9-12)7-8-16(13)2/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of 5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide?
5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide has a molecular weight of 308.43 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 110729387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).