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

C22H24F2N4O2S3 — CID 59135609

IUPACN-[2-[5-[(3,3-difluoropiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
SMILESCN(c1cccc2cc(C3=NCC(CN4CCCC(F)(F)C4)S3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H24F2N4O2S3/c1-27(33(29,30)19-7-3-10-31-19)18-6-2-5-15-11-17(26-20(15)18)21-25-12-16(32-21)13-28-9-4-8-22(23,24)14-28/h2-3,5-7,10-11,16,26H,4,8-9,12-14H2,1H3
InChIKeyBBYREBDNIBCFLQ-UHFFFAOYSA-N
MW510.66 g/mol
LogP4.65
Rot. Bonds6

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

N-[2-[5-[(3,3-difluoropiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide (PubChem CID 59135609) has the molecular formula C22H24F2N4O2S3 and a molecular weight of 510.66 g/mol. Its IUPAC name is N-[2-[5-[(3,3-difluoropiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-[(3,3-difluoropiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
PubChem CID59135609
Molecular FormulaC22H24F2N4O2S3
Molecular Weight510.66 g/mol
Exact Mass510.10
IUPAC NameN-[2-[5-[(3,3-difluoropiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
SMILESCN(c1cccc2cc(C3=NCC(CN4CCCC(F)(F)C4)S3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H24F2N4O2S3/c1-27(33(29,30)19-7-3-10-31-19)18-6-2-5-15-11-17(26-20(15)18)21-25-12-16(32-21)13-28-9-4-8-22(23,24)14-28/h2-3,5-7,10-11,16,26H,4,8-9,12-14H2,1H3
InChIKeyBBYREBDNIBCFLQ-UHFFFAOYSA-N
XLogP4.65
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.66
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[5-[(3,3-difluoropiperidin-1-yl)methyl]-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-[2-[5-[(3,3-difluoropiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-[5-[(3,3-difluoropiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide (CID 59135609) is N-[2-[5-[(3,3-difluoropiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[5-[(3,3-difluoropiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-[5-[(3,3-difluoropiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide is CN(c1cccc2cc(C3=NCC(CN4CCCC(F)(F)C4)S3)[nH]c12)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-[5-[(3,3-difluoropiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The InChIKey is BBYREBDNIBCFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O2S3/c1-27(33(29,30)19-7-3-10-31-19)18-6-2-5-15-11-17(26-20(15)18)21-25-12-16(32-21)13-28-9-4-8-22(23,24)14-28/h2-3,5-7,10-11,16,26H,4,8-9,12-14H2,1H3.
What are the key properties of N-[2-[5-[(3,3-difluoropiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
N-[2-[5-[(3,3-difluoropiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide has a molecular weight of 510.66 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(3,3-difluoropiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 59135609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).