5-ethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]thiophene-2-sulfonamide

C18H22N2O3S2 — CID 110358472

IUPAC5-ethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)C(C)C)s1
InChIInChI=1S/C18H22N2O3S2/c1-4-15-6-8-17(24-15)25(22,23)19-14-5-7-16-13(11-14)9-10-20(16)18(21)12(2)3/h5-8,11-12,19H,4,9-10H2,1-3H3
InChIKeyZWEKACAIDKTCHJ-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.66
Rot. Bonds5

About 5-ethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]thiophene-2-sulfonamide

5-ethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]thiophene-2-sulfonamide (PubChem CID 110358472) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 5-ethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]thiophene-2-sulfonamide
PubChem CID110358472
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name5-ethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)C(C)C)s1
InChIInChI=1S/C18H22N2O3S2/c1-4-15-6-8-17(24-15)25(22,23)19-14-5-7-16-13(11-14)9-10-20(16)18(21)12(2)3/h5-8,11-12,19H,4,9-10H2,1-3H3
InChIKeyZWEKACAIDKTCHJ-UHFFFAOYSA-N
XLogP3.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide
CID 7498939
3,4-dimethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzenesulfonamide
CID 110358460
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-ethylthiophene-2-sulfonamide
CID 110348178
1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
CID 7635663
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-ethylthiophene-2-sulfonamide
CID 110412812
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110358483
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-2-sulfonamide
CID 7498928
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
5-ethyl-N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 61454703
5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide
CID 110729387
N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-5-ethylthiophene-2-sulfonamide
CID 16926296
2-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]acetamide
CID 110609553

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]thiophene-2-sulfonamide (CID 110358472) is 5-ethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)C(C)C)s1.
What is the InChIKey of 5-ethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]thiophene-2-sulfonamide?
The InChIKey is ZWEKACAIDKTCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-4-15-6-8-17(24-15)25(22,23)19-14-5-7-16-13(11-14)9-10-20(16)18(21)12(2)3/h5-8,11-12,19H,4,9-10H2,1-3H3.
What are the key properties of 5-ethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]thiophene-2-sulfonamide?
5-ethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]thiophene-2-sulfonamide has a molecular weight of 378.52 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 110358472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).