2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide

C27H24ClN3O2S2 — CID 144711770

IUPAC2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1S(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccccc4Cl)sc3C)ccc21
InChIInChI=1S/C27H24ClN3O2S2/c1-17-7-3-6-10-24(17)35(33)31-14-13-20-15-21(11-12-23(20)31)26-18(2)34-27(30-26)29-25(32)16-19-8-4-5-9-22(19)28/h3-12,15H,13-14,16H2,1-2H3,(H,29,30,32)
InChIKeyJWGSRXYPOAFELQ-UHFFFAOYSA-N
MW522.10 g/mol
LogP6.35
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide

2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 144711770) has the molecular formula C27H24ClN3O2S2 and a molecular weight of 522.10 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID144711770
Molecular FormulaC27H24ClN3O2S2
Molecular Weight522.10 g/mol
Exact Mass521.10
IUPAC Name2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1S(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccccc4Cl)sc3C)ccc21
InChIInChI=1S/C27H24ClN3O2S2/c1-17-7-3-6-10-24(17)35(33)31-14-13-20-15-21(11-12-23(20)31)26-18(2)34-27(30-26)29-25(32)16-19-8-4-5-9-22(19)28/h3-12,15H,13-14,16H2,1-2H3,(H,29,30,32)
InChIKeyJWGSRXYPOAFELQ-UHFFFAOYSA-N
XLogP6.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.10
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 144711757
N,5-dimethyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine
CID 144711679
2-(4-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfanyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethane
CID 144711601
N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-4-ylacetamide
CID 90448764
N-[4-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 123376871
N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1451102
N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 1450529
3-chloro-N-[5-methyl-4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 1458926
2-(1,3-benzodioxol-5-yl)-N-[5-methyl-4-[1-(2-propan-2-ylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 90448779
2-(1,3-benzodioxol-5-yl)-N-[5-methyl-4-[1-(1-methylpyrrole-2-carbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 90448768
N-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 1451021
N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 1383864

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide (CID 144711770) is 2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide is Cc1ccccc1S(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccccc4Cl)sc3C)ccc21.
What is the InChIKey of 2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is JWGSRXYPOAFELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O2S2/c1-17-7-3-6-10-24(17)35(33)31-14-13-20-15-21(11-12-23(20)31)26-18(2)34-27(30-26)29-25(32)16-19-8-4-5-9-22(19)28/h3-12,15H,13-14,16H2,1-2H3,(H,29,30,32).
What are the key properties of 2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?
2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 522.10 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 144711770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).