N,N-dimethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydroindole-5-sulfonamide

C18H19N3O3S2 — CID 26570251

IUPACN,N-dimethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1coc(-c2cccs2)n1
InChIInChI=1S/C18H19N3O3S2/c1-20(2)26(22,23)15-5-6-16-13(10-15)7-8-21(16)11-14-12-24-18(19-14)17-4-3-9-25-17/h3-6,9-10,12H,7-8,11H2,1-2H3
InChIKeyGWUHCIIKXWHOPV-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.22
Rot. Bonds5

About N,N-dimethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydroindole-5-sulfonamide

N,N-dimethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 26570251) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N,N-dimethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID26570251
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN,N-dimethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1coc(-c2cccs2)n1
InChIInChI=1S/C18H19N3O3S2/c1-20(2)26(22,23)15-5-6-16-13(10-15)7-8-21(16)11-14-12-24-18(19-14)17-4-3-9-25-17/h3-6,9-10,12H,7-8,11H2,1-2H3
InChIKeyGWUHCIIKXWHOPV-UHFFFAOYSA-N
XLogP3.22
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydroindole-5-sulfonamide (CID 26570251) is N,N-dimethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydroindole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1coc(-c2cccs2)n1.
What is the InChIKey of N,N-dimethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is GWUHCIIKXWHOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-20(2)26(22,23)15-5-6-16-13(10-15)7-8-21(16)11-14-12-24-18(19-14)17-4-3-9-25-17/h3-6,9-10,12H,7-8,11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
N,N-dimethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 389.50 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 26570251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).