4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

C25H21N3O4S2 — CID 4064780

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccccc1-c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)n1
InChIInChI=1S/C25H21N3O4S2/c1-32-23-9-5-3-7-20(23)21-16-33-25(26-21)27-24(29)18-10-12-19(13-11-18)34(30,31)28-15-14-17-6-2-4-8-22(17)28/h2-13,16H,14-15H2,1H3,(H,26,27,29)
InChIKeyFIOOWHMUNXEIEF-UHFFFAOYSA-N
MW491.59 g/mol
LogP4.82
Rot. Bonds6

About 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4064780) has the molecular formula C25H21N3O4S2 and a molecular weight of 491.59 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID4064780
Molecular FormulaC25H21N3O4S2
Molecular Weight491.59 g/mol
Exact Mass491.10
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccccc1-c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)n1
InChIInChI=1S/C25H21N3O4S2/c1-32-23-9-5-3-7-20(23)21-16-33-25(26-21)27-24(29)18-10-12-19(13-11-18)34(30,31)28-15-14-17-6-2-4-8-22(17)28/h2-13,16H,14-15H2,1H3,(H,26,27,29)
InChIKeyFIOOWHMUNXEIEF-UHFFFAOYSA-N
XLogP4.82
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 3651034
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 3466044
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(4-ethylcyclohepta-1,3,6-trien-1-yl)-1,3-thiazol-2-yl]benzamide
CID 142892829
1-(benzenesulfonyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2,3-dihydroindole-5-carboxamide
CID 100801358
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 2447288
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 4188572
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2501912
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 3590382
N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide
CID 1383828
N-(4-bromo-1,3-benzothiazol-2-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 41235488
2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide
CID 12006182
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4067307

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 4064780) is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccccc1-c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)n1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is FIOOWHMUNXEIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4S2/c1-32-23-9-5-3-7-20(23)21-16-33-25(26-21)27-24(29)18-10-12-19(13-11-18)34(30,31)28-15-14-17-6-2-4-8-22(17)28/h2-13,16H,14-15H2,1H3,(H,26,27,29).
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 491.59 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4064780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).