4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

C25H23N3O3S2 — CID 40885515

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1cc(C)c2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)n(C)c2c1
InChIInChI=1S/C25H23N3O3S2/c1-16-14-17(2)23-22(15-16)27(3)25(32-23)26-24(29)19-8-10-20(11-9-19)33(30,31)28-13-12-18-6-4-5-7-21(18)28/h4-11,14-15H,12-13H2,1-3H3/b26-25-
InChIKeyDVVDRFYGVMOKSM-QPLCGJKRSA-N
MW477.61 g/mol
LogP4.35
Rot. Bonds3

About 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 40885515) has the molecular formula C25H23N3O3S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID40885515
Molecular FormulaC25H23N3O3S2
Molecular Weight477.61 g/mol
Exact Mass477.12
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1cc(C)c2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)n(C)c2c1
InChIInChI=1S/C25H23N3O3S2/c1-16-14-17(2)23-22(15-16)27(3)25(32-23)26-24(29)19-8-10-20(11-9-19)33(30,31)28-13-12-18-6-4-5-7-21(18)28/h4-11,14-15H,12-13H2,1-3H3/b26-25-
InChIKeyDVVDRFYGVMOKSM-QPLCGJKRSA-N
XLogP4.35
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 43942334
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5082137
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41048133
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4564783
4-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(2-ethoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzamide
CID 3363839
4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43947402
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 4071909
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3453290
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide
CID 42388295
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 43944692
methyl 2-[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
CID 4558993
ethyl 2-[6-chloro-2-[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 3583432

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 40885515) is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is Cc1cc(C)c2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)n(C)c2c1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is DVVDRFYGVMOKSM-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H23N3O3S2/c1-16-14-17(2)23-22(15-16)27(3)25(32-23)26-24(29)19-8-10-20(11-9-19)33(30,31)28-13-12-18-6-4-5-7-21(18)28/h4-11,14-15H,12-13H2,1-3H3/b26-25-.
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 477.61 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 40885515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).