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

C22H25FN4O4S3 — CID 70860945

IUPACN-[5-(fluoromethoxy)-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
SMILESCN(c1cc(OCF)cc2cc(C3=NCC(CN4CCOCC4)S3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H25FN4O4S3/c1-26(34(28,29)20-3-2-8-32-20)19-11-16(31-14-23)9-15-10-18(25-21(15)19)22-24-12-17(33-22)13-27-4-6-30-7-5-27/h2-3,8-11,17,25H,4-7,12-14H2,1H3
InChIKeyRUYKDPMSNUOYKG-UHFFFAOYSA-N
MW524.67 g/mol
LogP3.55
Rot. Bonds8

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

N-[5-(fluoromethoxy)-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide (PubChem CID 70860945) has the molecular formula C22H25FN4O4S3 and a molecular weight of 524.67 g/mol. Its IUPAC name is N-[5-(fluoromethoxy)-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(fluoromethoxy)-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
PubChem CID70860945
Molecular FormulaC22H25FN4O4S3
Molecular Weight524.67 g/mol
Exact Mass524.10
IUPAC NameN-[5-(fluoromethoxy)-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
SMILESCN(c1cc(OCF)cc2cc(C3=NCC(CN4CCOCC4)S3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H25FN4O4S3/c1-26(34(28,29)20-3-2-8-32-20)19-11-16(31-14-23)9-15-10-18(25-21(15)19)22-24-12-17(33-22)13-27-4-6-30-7-5-27/h2-3,8-11,17,25H,4-7,12-14H2,1H3
InChIKeyRUYKDPMSNUOYKG-UHFFFAOYSA-N
XLogP3.55
TPSA87.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.67
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-(fluoromethoxy)-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(fluoromethoxy)-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[5-(fluoromethoxy)-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide (CID 70860945) is N-[5-(fluoromethoxy)-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(fluoromethoxy)-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[5-(fluoromethoxy)-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide is CN(c1cc(OCF)cc2cc(C3=NCC(CN4CCOCC4)S3)[nH]c12)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[5-(fluoromethoxy)-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The InChIKey is RUYKDPMSNUOYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O4S3/c1-26(34(28,29)20-3-2-8-32-20)19-11-16(31-14-23)9-15-10-18(25-21(15)19)22-24-12-17(33-22)13-27-4-6-30-7-5-27/h2-3,8-11,17,25H,4-7,12-14H2,1H3.
What are the key properties of N-[5-(fluoromethoxy)-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
N-[5-(fluoromethoxy)-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide has a molecular weight of 524.67 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(fluoromethoxy)-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 70860945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).