2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide

C17H18N4O3S3 — CID 70883604

IUPAC2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide
SMILESCN(c1cccc2c1NC(C1=NCC(C(N)=O)S1)C2)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H18N4O3S3/c1-21(27(23,24)14-6-3-7-25-14)12-5-2-4-10-8-11(20-15(10)12)17-19-9-13(26-17)16(18)22/h2-7,11,13,20H,8-9H2,1H3,(H2,18,22)
InChIKeyQUVJKXXFUUOBMF-UHFFFAOYSA-N
MW422.56 g/mol
LogP1.91
Rot. Bonds5

About 2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide

2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide (PubChem CID 70883604) has the molecular formula C17H18N4O3S3 and a molecular weight of 422.56 g/mol. Its IUPAC name is 2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide
PubChem CID70883604
Molecular FormulaC17H18N4O3S3
Molecular Weight422.56 g/mol
Exact Mass422.05
IUPAC Name2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide
SMILESCN(c1cccc2c1NC(C1=NCC(C(N)=O)S1)C2)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H18N4O3S3/c1-21(27(23,24)14-6-3-7-25-14)12-5-2-4-10-8-11(20-15(10)12)17-19-9-13(26-17)16(18)22/h2-7,11,13,20H,8-9H2,1H3,(H2,18,22)
InChIKeyQUVJKXXFUUOBMF-UHFFFAOYSA-N
XLogP1.91
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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-[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-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 70860890
N-methyl-N-[2-[5-(sulfanylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
CID 89145829
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
methyl 2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 57476138
ethyl 2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate
CID 57476282
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
N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indole-2-carboxamide
CID 70860785

Frequently Asked Questions

What is the IUPAC name of 2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide (CID 70883604) is 2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide is CN(c1cccc2c1NC(C1=NCC(C(N)=O)S1)C2)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide?
The InChIKey is QUVJKXXFUUOBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S3/c1-21(27(23,24)14-6-3-7-25-14)12-5-2-4-10-8-11(20-15(10)12)17-19-9-13(26-17)16(18)22/h2-7,11,13,20H,8-9H2,1H3,(H2,18,22).
What are the key properties of 2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide?
2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide has a molecular weight of 422.56 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70883604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).