4-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzamide

C19H17N3O3S2 — CID 18109053

IUPAC4-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzamide
SMILESCc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C(N)=O)cc2)cs1
InChIInChI=1S/C19H17N3O3S2/c1-12-21-17(11-26-12)14-4-7-18-15(10-14)8-9-22(18)27(24,25)16-5-2-13(3-6-16)19(20)23/h2-7,10-11H,8-9H2,1H3,(H2,20,23)
InChIKeyHEXUIEBSPSWTDG-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.97
Rot. Bonds4

About 4-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzamide

4-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzamide (PubChem CID 18109053) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzamide.

Molecular Properties

Compound Name4-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzamide
PubChem CID18109053
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC Name4-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzamide
SMILESCc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C(N)=O)cc2)cs1
InChIInChI=1S/C19H17N3O3S2/c1-12-21-17(11-26-12)14-4-7-18-15(10-14)8-9-22(18)27(24,25)16-5-2-13(3-6-16)19(20)23/h2-7,10-11H,8-9H2,1H3,(H2,20,23)
InChIKeyHEXUIEBSPSWTDG-UHFFFAOYSA-N
XLogP2.97
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzenesulfonamide
CID 30287093
(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
CID 27039682
N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide
CID 1383828
N,N-dimethyl-3-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]benzenesulfonamide
CID 27899421
N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 1450373
4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide
CID 18125908
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100796756
N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 1450598
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
4-[(5-acetyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 110737435
N-[4-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]propanamide
CID 39974919

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
The IUPAC name of 4-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzamide (CID 18109053) is 4-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzamide.
What is the SMILES notation for 4-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
The canonical SMILES for 4-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzamide is Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C(N)=O)cc2)cs1.
What is the InChIKey of 4-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
The InChIKey is HEXUIEBSPSWTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c1-12-21-17(11-26-12)14-4-7-18-15(10-14)8-9-22(18)27(24,25)16-5-2-13(3-6-16)19(20)23/h2-7,10-11H,8-9H2,1H3,(H2,20,23).
What are the key properties of 4-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
4-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzamide has a molecular weight of 399.50 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzamide is sourced from PubChem (CID 18109053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).