N-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide

C17H17N3O4S2 — CID 20971843

IUPACN-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2cc(NS(=O)(=O)c3ccc(OC)cc3)ccc2s1
InChIInChI=1S/C17H17N3O4S2/c1-3-16(21)19-17-18-14-10-11(4-9-15(14)25-17)20-26(22,23)13-7-5-12(24-2)6-8-13/h4-10,20H,3H2,1-2H3,(H,18,19,21)
InChIKeyDKQDHYFYRWZXDP-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.45
Rot. Bonds6

About N-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide

N-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide (PubChem CID 20971843) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
PubChem CID20971843
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC NameN-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2cc(NS(=O)(=O)c3ccc(OC)cc3)ccc2s1
InChIInChI=1S/C17H17N3O4S2/c1-3-16(21)19-17-18-14-10-11(4-9-15(14)25-17)20-26(22,23)13-7-5-12(24-2)6-8-13/h4-10,20H,3H2,1-2H3,(H,18,19,21)
InChIKeyDKQDHYFYRWZXDP-UHFFFAOYSA-N
XLogP3.45
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[5-[[4-(propanoylamino)phenyl]sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46379311
N-[5-[(2,5-difluorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
CID 20971871
N-[4-[[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]sulfamoyl]phenyl]propanamide
CID 46325654
N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide
CID 20971886
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 2455569
4-[(4-methoxyphenyl)sulfonylamino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 121045218
N-[5-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 20971949
N-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
CID 46325650
4-amino-N-(5-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 121004629
N-[5-[(3-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971915
N-[6-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide
CID 46325764

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide (CID 20971843) is N-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide is CCC(=O)Nc1nc2cc(NS(=O)(=O)c3ccc(OC)cc3)ccc2s1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide?
The InChIKey is DKQDHYFYRWZXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-3-16(21)19-17-18-14-10-11(4-9-15(14)25-17)20-26(22,23)13-7-5-12(24-2)6-8-13/h4-10,20H,3H2,1-2H3,(H,18,19,21).
What are the key properties of N-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide?
N-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide has a molecular weight of 391.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide is sourced from PubChem (CID 20971843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).