N-[5-[4-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-7-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C20H19N3O5S3 — CID 176658335

IUPACN-[5-[4-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-7-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc3c(c2)S(=O)(=O)CCN3S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C20H19N3O5S3/c1-13-19(29-20(21-13)22-14(2)24)15-8-9-17-18(12-15)30(25,26)11-10-23(17)31(27,28)16-6-4-3-5-7-16/h3-9,12H,10-11H2,1-2H3,(H,21,22,24)
InChIKeyFGTAHUFDPJCMMM-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.06
Rot. Bonds4

About N-[5-[4-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-7-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[4-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-7-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 176658335) has the molecular formula C20H19N3O5S3 and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[5-[4-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-7-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-7-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID176658335
Molecular FormulaC20H19N3O5S3
Molecular Weight477.59 g/mol
Exact Mass477.05
IUPAC NameN-[5-[4-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-7-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc3c(c2)S(=O)(=O)CCN3S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C20H19N3O5S3/c1-13-19(29-20(21-13)22-14(2)24)15-8-9-17-18(12-15)30(25,26)11-10-23(17)31(27,28)16-6-4-3-5-7-16/h3-9,12H,10-11H2,1-2H3,(H,21,22,24)
InChIKeyFGTAHUFDPJCMMM-UHFFFAOYSA-N
XLogP3.06
TPSA113.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-7-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[4-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-7-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 176658335) is N-[5-[4-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-7-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[4-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-7-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[4-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-7-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2ccc3c(c2)S(=O)(=O)CCN3S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of N-[5-[4-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-7-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is FGTAHUFDPJCMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S3/c1-13-19(29-20(21-13)22-14(2)24)15-8-9-17-18(12-15)30(25,26)11-10-23(17)31(27,28)16-6-4-3-5-7-16/h3-9,12H,10-11H2,1-2H3,(H,21,22,24).
What are the key properties of N-[5-[4-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-7-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[4-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-7-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 477.59 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-7-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 176658335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).