N-[5-(2-methoxyethoxy)-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide

About N-[5-(2-methoxyethoxy)-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide

N-[5-(2-methoxyethoxy)-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide (PubChem CID 59135845) has the molecular formula C25H31N5O4S3 and a molecular weight of 561.76 g/mol. Its IUPAC name is N-[5-(2-methoxyethoxy)-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide.

Molecular Properties

Compound Name	N-[5-(2-methoxyethoxy)-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
PubChem CID	59135845
Molecular Formula	C25H31N5O4S3
Molecular Weight	561.76 g/mol
Exact Mass	561.15
IUPAC Name	N-[5-(2-methoxyethoxy)-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
SMILES	COCCOc1cc(N(C)S(=O)(=O)c2ccccn2)c2[nH]c(C3=NCC(CN4CCSCC4)S3)cc2c1
InChI	InChI=1S/C25H31N5O4S3/c1-29(37(31,32)23-5-3-4-6-26-23)22-15-19(34-10-9-33-2)13-18-14-21(28-24(18)22)25-27-16-20(36-25)17-30-7-11-35-12-8-30/h3-6,13-15,20,28H,7-12,16-17H2,1-2H3
InChIKey	DCSZWDGHHLWISD-UHFFFAOYSA-N
XLogP	3.32
TPSA	100.12 Å²
H-Bond Donors	1
H-Bond Acceptors	9
Rotatable Bonds	10
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.76
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyethoxy)-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?

The IUPAC name of N-[5-(2-methoxyethoxy)-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide (CID 59135845) is N-[5-(2-methoxyethoxy)-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide.

What is the SMILES notation for N-[5-(2-methoxyethoxy)-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?

The canonical SMILES for N-[5-(2-methoxyethoxy)-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide is COCCOc1cc(N(C)S(=O)(=O)c2ccccn2)c2[nH]c(C3=NCC(CN4CCSCC4)S3)cc2c1.

What is the InChIKey of N-[5-(2-methoxyethoxy)-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?

The InChIKey is DCSZWDGHHLWISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4S3/c1-29(37(31,32)23-5-3-4-6-26-23)22-15-19(34-10-9-33-2)13-18-14-21(28-24(18)22)25-27-16-20(36-25)17-30-7-11-35-12-8-30/h3-6,13-15,20,28H,7-12,16-17H2,1-2H3.

What are the key properties of N-[5-(2-methoxyethoxy)-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?

N-[5-(2-methoxyethoxy)-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide has a molecular weight of 561.76 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-methoxyethoxy)-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide is sourced from PubChem (CID 59135845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).