2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide

C21H27N3O3S — CID 86893523

IUPAC2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccccc1N(CC(=O)N1c2ccc(S(N)(=O)=O)cc2CC1C)C(C)C
InChIInChI=1S/C21H27N3O3S/c1-14(2)23(19-8-6-5-7-15(19)3)13-21(25)24-16(4)11-17-12-18(28(22,26)27)9-10-20(17)24/h5-10,12,14,16H,11,13H2,1-4H3,(H2,22,26,27)
InChIKeyKSTWUZBWRVSCEI-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.84
Rot. Bonds5

About 2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide

2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 86893523) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID86893523
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccccc1N(CC(=O)N1c2ccc(S(N)(=O)=O)cc2CC1C)C(C)C
InChIInChI=1S/C21H27N3O3S/c1-14(2)23(19-8-6-5-7-15(19)3)13-21(25)24-16(4)11-17-12-18(28(22,26)27)9-10-20(17)24/h5-10,12,14,16H,11,13H2,1-4H3,(H2,22,26,27)
InChIKeyKSTWUZBWRVSCEI-UHFFFAOYSA-N
XLogP2.84
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide (CID 86893523) is 2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide is Cc1ccccc1N(CC(=O)N1c2ccc(S(N)(=O)=O)cc2CC1C)C(C)C.
What is the InChIKey of 2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is KSTWUZBWRVSCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-14(2)23(19-8-6-5-7-15(19)3)13-21(25)24-16(4)11-17-12-18(28(22,26)27)9-10-20(17)24/h5-10,12,14,16H,11,13H2,1-4H3,(H2,22,26,27).
What are the key properties of 2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide?
2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 401.53 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 86893523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).