N-[6-[(4-acetylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide

C19H19N3O4S2 — CID 46325564

IUPACN-[6-[(4-acetylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2c(C)cc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2s1
InChIInChI=1S/C19H19N3O4S2/c1-4-17(24)20-19-21-18-11(2)9-14(10-16(18)27-19)22-28(25,26)15-7-5-13(6-8-15)12(3)23/h5-10,22H,4H2,1-3H3,(H,20,21,24)
InChIKeyWNOFVPYFQIBNGF-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.96
Rot. Bonds6

About N-[6-[(4-acetylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide

N-[6-[(4-acetylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide (PubChem CID 46325564) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[6-[(4-acetylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[6-[(4-acetylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
PubChem CID46325564
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC NameN-[6-[(4-acetylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2c(C)cc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2s1
InChIInChI=1S/C19H19N3O4S2/c1-4-17(24)20-19-21-18-11(2)9-14(10-16(18)27-19)22-28(25,26)15-7-5-13(6-8-15)12(3)23/h5-10,22H,4H2,1-3H3,(H,20,21,24)
InChIKeyWNOFVPYFQIBNGF-UHFFFAOYSA-N
XLogP3.96
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(4-bromophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
CID 46325536
N-[6-[(4-ethylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
CID 46325555
N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide
CID 46325595
N-[4-[[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]sulfamoyl]phenyl]propanamide
CID 46325654
N-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
CID 46325650
methyl 4-[[4-methyl-2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamoylamino]benzoate
CID 46325897
N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide
CID 46291220
N-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-2-methoxyacetamide
CID 46291267
4-methyl-N-[5-[[4-(propanoylamino)phenyl]sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46379311
N-[6-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
CID 46325867
N-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
CID 20971843
N-[6-[(4-ethoxyphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
CID 46325883

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-acetylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide?
The IUPAC name of N-[6-[(4-acetylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide (CID 46325564) is N-[6-[(4-acetylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide.
What is the SMILES notation for N-[6-[(4-acetylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide?
The canonical SMILES for N-[6-[(4-acetylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide is CCC(=O)Nc1nc2c(C)cc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2s1.
What is the InChIKey of N-[6-[(4-acetylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide?
The InChIKey is WNOFVPYFQIBNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-4-17(24)20-19-21-18-11(2)9-14(10-16(18)27-19)22-28(25,26)15-7-5-13(6-8-15)12(3)23/h5-10,22H,4H2,1-3H3,(H,20,21,24).
What are the key properties of N-[6-[(4-acetylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide?
N-[6-[(4-acetylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide has a molecular weight of 417.51 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-acetylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide is sourced from PubChem (CID 46325564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).