3-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide

C22H26N4O3S3 — CID 175264747

IUPAC3-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESCc1ccsc1S(=O)(=O)Nc1cccc2cc(C3=NCC(C)(CN4CCOCC4)S3)[nH]c12
InChIInChI=1S/C22H26N4O3S3/c1-15-6-11-30-21(15)32(27,28)25-17-5-3-4-16-12-18(24-19(16)17)20-23-13-22(2,31-20)14-26-7-9-29-10-8-26/h3-6,11-12,24-25H,7-10,13-14H2,1-2H3
InChIKeyMEYHOFHCJIZRES-UHFFFAOYSA-N
MW490.68 g/mol
LogP3.92
Rot. Bonds6

About 3-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide

3-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 175264747) has the molecular formula C22H26N4O3S3 and a molecular weight of 490.68 g/mol. Its IUPAC name is 3-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
PubChem CID175264747
Molecular FormulaC22H26N4O3S3
Molecular Weight490.68 g/mol
Exact Mass490.12
IUPAC Name3-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESCc1ccsc1S(=O)(=O)Nc1cccc2cc(C3=NCC(C)(CN4CCOCC4)S3)[nH]c12
InChIInChI=1S/C22H26N4O3S3/c1-15-6-11-30-21(15)32(27,28)25-17-5-3-4-16-12-18(24-19(16)17)20-23-13-22(2,31-20)14-26-7-9-29-10-8-26/h3-6,11-12,24-25H,7-10,13-14H2,1-2H3
InChIKeyMEYHOFHCJIZRES-UHFFFAOYSA-N
XLogP3.92
TPSA86.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.68
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The IUPAC name of 3-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (CID 175264747) is 3-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The canonical SMILES for 3-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is Cc1ccsc1S(=O)(=O)Nc1cccc2cc(C3=NCC(C)(CN4CCOCC4)S3)[nH]c12.
What is the InChIKey of 3-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The InChIKey is MEYHOFHCJIZRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S3/c1-15-6-11-30-21(15)32(27,28)25-17-5-3-4-16-12-18(24-19(16)17)20-23-13-22(2,31-20)14-26-7-9-29-10-8-26/h3-6,11-12,24-25H,7-10,13-14H2,1-2H3.
What are the key properties of 3-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
3-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 490.68 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 175264747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).