N-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide

C20H23N3O4S2 — CID 46325650

IUPACN-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2c(OC)cc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2s1
InChIInChI=1S/C20H23N3O4S2/c1-5-18(24)21-20-22-19-16(27-4)10-14(11-17(19)28-20)23-29(25,26)15-8-6-13(7-9-15)12(2)3/h6-12,23H,5H2,1-4H3,(H,21,22,24)
InChIKeyFCHXCQQSNALAJU-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.58
Rot. Bonds7

About N-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide

N-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide (PubChem CID 46325650) has the molecular formula C20H23N3O4S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
PubChem CID46325650
Molecular FormulaC20H23N3O4S2
Molecular Weight433.56 g/mol
Exact Mass433.11
IUPAC NameN-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2c(OC)cc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2s1
InChIInChI=1S/C20H23N3O4S2/c1-5-18(24)21-20-22-19-16(27-4)10-14(11-17(19)28-20)23-29(25,26)15-8-6-13(7-9-15)12(2)3/h6-12,23H,5H2,1-4H3,(H,21,22,24)
InChIKeyFCHXCQQSNALAJU-UHFFFAOYSA-N
XLogP4.58
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]sulfamoyl]phenyl]propanamide
CID 46325654
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-(butan-2-ylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]propanamide
CID 46325998
N-[6-[(4-acetylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
CID 46325564
N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325720
N-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325696
N-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
CID 20971843
N-[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide
CID 46291026
N-[6-[(3,4-difluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325722
N-[6-[(2,5-dimethylphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide
CID 46325673
N-[6-[(2-fluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide
CID 46325687

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide?
The IUPAC name of N-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide (CID 46325650) is N-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide?
The canonical SMILES for N-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide is CCC(=O)Nc1nc2c(OC)cc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2s1.
What is the InChIKey of N-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide?
The InChIKey is FCHXCQQSNALAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S2/c1-5-18(24)21-20-22-19-16(27-4)10-14(11-17(19)28-20)23-29(25,26)15-8-6-13(7-9-15)12(2)3/h6-12,23H,5H2,1-4H3,(H,21,22,24).
What are the key properties of N-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide?
N-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide has a molecular weight of 433.56 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide is sourced from PubChem (CID 46325650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).