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

C30H33N3O2S2 — CID 144711757

IUPACethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
SMILESCC.Cc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4S(=O)c3ccccc3C)c(C)s2)cc1
InChIInChI=1S/C28H27N3O2S2.C2H6/c1-18-8-10-21(11-9-18)16-26(32)29-28-30-27(20(3)34-28)23-12-13-24-22(17-23)14-15-31(24)35(33)25-7-5-4-6-19(25)2;1-2/h4-13,17H,14-16H2,1-3H3,(H,29,30,32);1-2H3
InChIKeyYBAHJCCQLCMLBR-UHFFFAOYSA-N
MW531.75 g/mol
LogP7.03
Rot. Bonds6

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

ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide (PubChem CID 144711757) has the molecular formula C30H33N3O2S2 and a molecular weight of 531.75 g/mol. Its IUPAC name is ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Nameethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
PubChem CID144711757
Molecular FormulaC30H33N3O2S2
Molecular Weight531.75 g/mol
Exact Mass531.20
IUPAC Nameethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
SMILESCC.Cc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4S(=O)c3ccccc3C)c(C)s2)cc1
InChIInChI=1S/C28H27N3O2S2.C2H6/c1-18-8-10-21(11-9-18)16-26(32)29-28-30-27(20(3)34-28)23-12-13-24-22(17-23)14-15-31(24)35(33)25-7-5-4-6-19(25)2;1-2/h4-13,17H,14-16H2,1-3H3,(H,29,30,32);1-2H3
InChIKeyYBAHJCCQLCMLBR-UHFFFAOYSA-N
XLogP7.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.75
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 144711770
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-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 19183929
N-[4-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 123376871
2-(4-methoxyphenyl)-N-[5-methyl-4-[2-methyl-1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 90448485
N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 1450529
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
2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethane
CID 170705276
N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1451102

Frequently Asked Questions

What is the IUPAC name of ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 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) is ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide is CC.Cc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4S(=O)c3ccccc3C)c(C)s2)cc1.
What is the InChIKey of ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is YBAHJCCQLCMLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2S2.C2H6/c1-18-8-10-21(11-9-18)16-26(32)29-28-30-27(20(3)34-28)23-12-13-24-22(17-23)14-15-31(24)35(33)25-7-5-4-6-19(25)2;1-2/h4-13,17H,14-16H2,1-3H3,(H,29,30,32);1-2H3.
What are the key properties of ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide?
ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 531.75 g/mol, XLogP of 7.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 144711757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).