2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide

C23H25N3O3S2 — CID 45354619

IUPAC2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3ccc4c(c3)CC(C)N4S(C)(=O)=O)n2)c(C)c1
InChIInChI=1S/C23H25N3O3S2/c1-13-8-14(2)21(15(3)9-13)19-12-30-23(24-19)25-22(27)17-6-7-20-18(11-17)10-16(4)26(20)31(5,28)29/h6-9,11-12,16H,10H2,1-5H3,(H,24,25,27)
InChIKeyXOJKRAOQFCYNFB-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.70
Rot. Bonds4

About 2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide

2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide (PubChem CID 45354619) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is 2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
PubChem CID45354619
Molecular FormulaC23H25N3O3S2
Molecular Weight455.61 g/mol
Exact Mass455.13
IUPAC Name2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3ccc4c(c3)CC(C)N4S(C)(=O)=O)n2)c(C)c1
InChIInChI=1S/C23H25N3O3S2/c1-13-8-14(2)21(15(3)9-13)19-12-30-23(24-19)25-22(27)17-6-7-20-18(11-17)10-16(4)26(20)31(5,28)29/h6-9,11-12,16H,10H2,1-5H3,(H,24,25,27)
InChIKeyXOJKRAOQFCYNFB-UHFFFAOYSA-N
XLogP4.70
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
CID 25492200
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55483539
2-methyl-1-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
CID 43055333
N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 1458548
(2R)-2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide
CID 28539705
2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide
CID 42893734
N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 92969218
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51233109
N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]propanamide
CID 1458577
2-methyl-N-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 3707611
(2S)-N-(3,5-dichlorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452618
(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide
CID 27700275

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide (CID 45354619) is 2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide is Cc1cc(C)c(-c2csc(NC(=O)c3ccc4c(c3)CC(C)N4S(C)(=O)=O)n2)c(C)c1.
What is the InChIKey of 2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is XOJKRAOQFCYNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c1-13-8-14(2)21(15(3)9-13)19-12-30-23(24-19)25-22(27)17-6-7-20-18(11-17)10-16(4)26(20)31(5,28)29/h6-9,11-12,16H,10H2,1-5H3,(H,24,25,27).
What are the key properties of 2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide?
2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 455.61 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 45354619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).