N-[4-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]propanamide

C21H21N3O3S2 — CID 39974919

IUPACN-[4-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nc(-c3ccc4c(c3)CCN4S(C)(=O)=O)cs2)cc1
InChIInChI=1S/C21H21N3O3S2/c1-3-20(25)22-17-7-4-14(5-8-17)21-23-18(13-28-21)15-6-9-19-16(12-15)10-11-24(19)29(2,26)27/h4-9,12-13H,3,10-11H2,1-2H3,(H,22,25)
InChIKeyZLMVQKTYUDOWRZ-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.15
Rot. Bonds5

About N-[4-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]propanamide

N-[4-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]propanamide (PubChem CID 39974919) has the molecular formula C21H21N3O3S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[4-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]propanamide
PubChem CID39974919
Molecular FormulaC21H21N3O3S2
Molecular Weight427.55 g/mol
Exact Mass427.10
IUPAC NameN-[4-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nc(-c3ccc4c(c3)CCN4S(C)(=O)=O)cs2)cc1
InChIInChI=1S/C21H21N3O3S2/c1-3-20(25)22-17-7-4-14(5-8-17)21-23-18(13-28-21)15-6-9-19-16(12-15)10-11-24(19)29(2,26)27/h4-9,12-13H,3,10-11H2,1-2H3,(H,22,25)
InChIKeyZLMVQKTYUDOWRZ-UHFFFAOYSA-N
XLogP4.15
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyridin-4-yl-1,3-thiazole
CID 31263057
N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 1458463
2-(3-ethoxyphenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole
CID 9356452
2-(3-fluorophenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole
CID 9356449
N-(6-chloro-3-pyridinyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine
CID 167841857
2-(3,4-dimethoxyphenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole
CID 29109661
N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 9173882
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 24603229
4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 9343863
[2-(4-ethylanilino)-2-oxoethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 8783468
N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]propanamide
CID 1458577
1-methylsulfonyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 16561897

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]propanamide?
The IUPAC name of N-[4-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]propanamide (CID 39974919) is N-[4-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]propanamide.
What is the SMILES notation for N-[4-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]propanamide?
The canonical SMILES for N-[4-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]propanamide is CCC(=O)Nc1ccc(-c2nc(-c3ccc4c(c3)CCN4S(C)(=O)=O)cs2)cc1.
What is the InChIKey of N-[4-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]propanamide?
The InChIKey is ZLMVQKTYUDOWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S2/c1-3-20(25)22-17-7-4-14(5-8-17)21-23-18(13-28-21)15-6-9-19-16(12-15)10-11-24(19)29(2,26)27/h4-9,12-13H,3,10-11H2,1-2H3,(H,22,25).
What are the key properties of N-[4-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]propanamide?
N-[4-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]propanamide has a molecular weight of 427.55 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]propanamide is sourced from PubChem (CID 39974919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).