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

C27H25N3O3S2 — CID 2501912

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4CCc5ccccc54)c3)n2)cc1
InChIInChI=1S/C27H25N3O3S2/c1-2-6-19-11-13-20(14-12-19)24-18-34-27(28-24)29-26(31)22-8-5-9-23(17-22)35(32,33)30-16-15-21-7-3-4-10-25(21)30/h3-5,7-14,17-18H,2,6,15-16H2,1H3,(H,28,29,31)
InChIKeyCZZYXXPSCCSDAE-UHFFFAOYSA-N
MW503.65 g/mol
LogP5.77
Rot. Bonds7

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

3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 2501912) has the molecular formula C27H25N3O3S2 and a molecular weight of 503.65 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID2501912
Molecular FormulaC27H25N3O3S2
Molecular Weight503.65 g/mol
Exact Mass503.13
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4CCc5ccccc54)c3)n2)cc1
InChIInChI=1S/C27H25N3O3S2/c1-2-6-19-11-13-20(14-12-19)24-18-34-27(28-24)29-26(31)22-8-5-9-23(17-22)35(32,33)30-16-15-21-7-3-4-10-25(21)30/h3-5,7-14,17-18H,2,6,15-16H2,1H3,(H,28,29,31)
InChIKeyCZZYXXPSCCSDAE-UHFFFAOYSA-N
XLogP5.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.65
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 2447288
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 3651034
N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide
CID 1383828
1-methylsulfonyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 16561897
N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 1450373
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 2492615
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 41028740
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)benzamide
CID 86961299
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17410337
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
4-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4064780
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
CID 7947076

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide (CID 2501912) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide is CCCc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4CCc5ccccc54)c3)n2)cc1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is CZZYXXPSCCSDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3S2/c1-2-6-19-11-13-20(14-12-19)24-18-34-27(28-24)29-26(31)22-8-5-9-23(17-22)35(32,33)30-16-15-21-7-3-4-10-25(21)30/h3-5,7-14,17-18H,2,6,15-16H2,1H3,(H,28,29,31).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 503.65 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 2501912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).