N-(1,3-benzothiazol-5-yl)-3-butoxybenzamide

C18H18N2O2S — CID 18585520

IUPACN-(1,3-benzothiazol-5-yl)-3-butoxybenzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccc3scnc3c2)c1
InChIInChI=1S/C18H18N2O2S/c1-2-3-9-22-15-6-4-5-13(10-15)18(21)20-14-7-8-17-16(11-14)19-12-23-17/h4-8,10-12H,2-3,9H2,1H3,(H,20,21)
InChIKeyPVVYRJHLJYGBBH-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.73
Rot. Bonds6

About N-(1,3-benzothiazol-5-yl)-3-butoxybenzamide

N-(1,3-benzothiazol-5-yl)-3-butoxybenzamide (PubChem CID 18585520) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-3-butoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-3-butoxybenzamide
PubChem CID18585520
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(1,3-benzothiazol-5-yl)-3-butoxybenzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccc3scnc3c2)c1
InChIInChI=1S/C18H18N2O2S/c1-2-3-9-22-15-6-4-5-13(10-15)18(21)20-14-7-8-17-16(11-14)19-12-23-17/h4-8,10-12H,2-3,9H2,1H3,(H,20,21)
InChIKeyPVVYRJHLJYGBBH-UHFFFAOYSA-N
XLogP4.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide
CID 18585507
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide
CID 18585554
3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
CID 17222720
3-butoxy-N-(9,10-dioxoanthracen-2-yl)benzamide
CID 3976635
3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 26157613
3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 17232374

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-3-butoxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-3-butoxybenzamide (CID 18585520) is N-(1,3-benzothiazol-5-yl)-3-butoxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-3-butoxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-3-butoxybenzamide is CCCCOc1cccc(C(=O)Nc2ccc3scnc3c2)c1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-3-butoxybenzamide?
The InChIKey is PVVYRJHLJYGBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-2-3-9-22-15-6-4-5-13(10-15)18(21)20-14-7-8-17-16(11-14)19-12-23-17/h4-8,10-12H,2-3,9H2,1H3,(H,20,21).
What are the key properties of N-(1,3-benzothiazol-5-yl)-3-butoxybenzamide?
N-(1,3-benzothiazol-5-yl)-3-butoxybenzamide has a molecular weight of 326.42 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-3-butoxybenzamide is sourced from PubChem (CID 18585520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).