N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(methanesulfonamido)benzamide

C18H19N3O3S2 — CID 43069950

IUPACN-[3-(1,3-benzothiazol-2-yl)propyl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCCCc2nc3ccccc3s2)c1
InChIInChI=1S/C18H19N3O3S2/c1-26(23,24)21-14-7-4-6-13(12-14)18(22)19-11-5-10-17-20-15-8-2-3-9-16(15)25-17/h2-4,6-9,12,21H,5,10-11H2,1H3,(H,19,22)
InChIKeySLQZXJHTDKLBLK-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.03
Rot. Bonds7

About N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(methanesulfonamido)benzamide

N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(methanesulfonamido)benzamide (PubChem CID 43069950) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)propyl]-3-(methanesulfonamido)benzamide
PubChem CID43069950
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)propyl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCCCc2nc3ccccc3s2)c1
InChIInChI=1S/C18H19N3O3S2/c1-26(23,24)21-14-7-4-6-13(12-14)18(22)19-11-5-10-17-20-15-8-2-3-9-16(15)25-17/h2-4,6-9,12,21H,5,10-11H2,1H3,(H,19,22)
InChIKeySLQZXJHTDKLBLK-UHFFFAOYSA-N
XLogP3.03
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-(methanesulfonamido)benzamide
CID 37043981
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methylbenzamide
CID 51207900
N-[2-[3-(1,3-benzothiazol-2-yl)propylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 55492058
3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-N-(3-ethoxypropyl)benzamide
CID 55801679
N-[3-(1,3-benzothiazol-2-yl)propyl]-2,5-dimethylthiophene-3-carboxamide
CID 38901273
N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 43069920
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-chloro-5-(methylsulfamoyl)benzamide
CID 55492533
N-[3-(1,3-benzothiazol-2-yl)propyl]-5-bromo-2-fluorobenzamide
CID 46426520
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 51207889
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(3-methoxyphenyl)acetamide
CID 46426483
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-tert-butylbenzamide
CID 46823819
2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-N-[[3-(methanesulfonamido)phenyl]methyl]butanamide
CID 46438485

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(methanesulfonamido)benzamide (CID 43069950) is N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1cccc(C(=O)NCCCc2nc3ccccc3s2)c1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(methanesulfonamido)benzamide?
The InChIKey is SLQZXJHTDKLBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-26(23,24)21-14-7-4-6-13(12-14)18(22)19-11-5-10-17-20-15-8-2-3-9-16(15)25-17/h2-4,6-9,12,21H,5,10-11H2,1H3,(H,19,22).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(methanesulfonamido)benzamide?
N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(methanesulfonamido)benzamide has a molecular weight of 389.50 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 43069950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).