N-[4-[2-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C19H24N4O4S2 — CID 167773591

IUPACN-[4-[2-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cs1
InChIInChI=1S/C19H24N4O4S2/c1-12(2)18(25)21-19-20-14(11-28-19)10-17(24)23-8-7-13-9-15(5-6-16(13)23)29(26,27)22(3)4/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,20,21,25)
InChIKeyNUEULFUECQYUQM-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.12
Rot. Bonds6

About N-[4-[2-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-[2-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 167773591) has the molecular formula C19H24N4O4S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[4-[2-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID167773591
Molecular FormulaC19H24N4O4S2
Molecular Weight436.56 g/mol
Exact Mass436.12
IUPAC NameN-[4-[2-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cs1
InChIInChI=1S/C19H24N4O4S2/c1-12(2)18(25)21-19-20-14(11-28-19)10-17(24)23-8-7-13-9-15(5-6-16(13)23)29(26,27)22(3)4/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,20,21,25)
InChIKeyNUEULFUECQYUQM-UHFFFAOYSA-N
XLogP2.12
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2,3-dihydroindole-5-carboxamide
CID 167750557
N-[4-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 166195924
2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 1458890
N-[4-[2-(5-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 166216398
N-[4-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 60560040
N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41227760
N-[4-[2-(6-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 166216389
N,N-diethyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435258
N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 26769525
N-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 120817223
1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769527
4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide
CID 26769862

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 167773591) is N-[4-[2-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc(CC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cs1.
What is the InChIKey of N-[4-[2-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is NUEULFUECQYUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S2/c1-12(2)18(25)21-19-20-14(11-28-19)10-17(24)23-8-7-13-9-15(5-6-16(13)23)29(26,27)22(3)4/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,20,21,25).
What are the key properties of N-[4-[2-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-[2-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 436.56 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 167773591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).