N-methoxy-N-methyl-2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide

C20H24N4O4S3 — CID 89040237

IUPACN-methoxy-N-methyl-2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide
SMILESCON(C)C(=O)CC1CN=C(C2Cc3cccc(N(C)S(=O)(=O)c4cccs4)c3N2)S1
InChIInChI=1S/C20H24N4O4S3/c1-23(28-3)17(25)11-14-12-21-20(30-14)15-10-13-6-4-7-16(19(13)22-15)24(2)31(26,27)18-8-5-9-29-18/h4-9,14-15,22H,10-12H2,1-3H3
InChIKeyHYIHNQXSZOITDJ-UHFFFAOYSA-N
MW480.64 g/mol
LogP2.83
Rot. Bonds7

About N-methoxy-N-methyl-2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide

N-methoxy-N-methyl-2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide (PubChem CID 89040237) has the molecular formula C20H24N4O4S3 and a molecular weight of 480.64 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide
PubChem CID89040237
Molecular FormulaC20H24N4O4S3
Molecular Weight480.64 g/mol
Exact Mass480.10
IUPAC NameN-methoxy-N-methyl-2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide
SMILESCON(C)C(=O)CC1CN=C(C2Cc3cccc(N(C)S(=O)(=O)c4cccs4)c3N2)S1
InChIInChI=1S/C20H24N4O4S3/c1-23(28-3)17(25)11-14-12-21-20(30-14)15-10-13-6-4-7-16(19(13)22-15)24(2)31(26,27)18-8-5-9-29-18/h4-9,14-15,22H,10-12H2,1-3H3
InChIKeyHYIHNQXSZOITDJ-UHFFFAOYSA-N
XLogP2.83
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.64
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[2-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
CID 70883687
2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide
CID 70883604
N-methyl-N-[2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
CID 70928783
N-methyl-N-[2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
CID 70883635
N-methyl-N-[2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide
CID 89068793
N-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 70860890
N-[2-(9,12-dioxa-4-thia-2-azadispiro[4.2.48.25]tetradec-2-en-3-yl)-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 70888528
N-methyl-N-[2-[5-(sulfanylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
CID 89145829
ethyl 2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate
CID 57476282
ethyl 2-[2-[4-methyl-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate
CID 59136158
N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 57476293
N-(2-ethoxyethyl)-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
CID 70883677

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-methoxy-N-methyl-2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide (CID 89040237) is N-methoxy-N-methyl-2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-methoxy-N-methyl-2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-methoxy-N-methyl-2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide is CON(C)C(=O)CC1CN=C(C2Cc3cccc(N(C)S(=O)(=O)c4cccs4)c3N2)S1.
What is the InChIKey of N-methoxy-N-methyl-2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
The InChIKey is HYIHNQXSZOITDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S3/c1-23(28-3)17(25)11-14-12-21-20(30-14)15-10-13-6-4-7-16(19(13)22-15)24(2)31(26,27)18-8-5-9-29-18/h4-9,14-15,22H,10-12H2,1-3H3.
What are the key properties of N-methoxy-N-methyl-2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
N-methoxy-N-methyl-2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide has a molecular weight of 480.64 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 89040237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).