N,N-dibutyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

C18H26N2O2S — CID 3302615

IUPACN,N-dibutyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCCCCN(CCCC)C(=O)CCn1c(=O)sc2ccccc21
InChIInChI=1S/C18H26N2O2S/c1-3-5-12-19(13-6-4-2)17(21)11-14-20-15-9-7-8-10-16(15)23-18(20)22/h7-10H,3-6,11-14H2,1-2H3
InChIKeyNDUYWBLQCSSRHK-UHFFFAOYSA-N
MW334.48 g/mol
LogP3.88
Rot. Bonds9

About N,N-dibutyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

N,N-dibutyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (PubChem CID 3302615) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is N,N-dibutyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.

Molecular Properties

Compound NameN,N-dibutyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
PubChem CID3302615
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC NameN,N-dibutyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCCCCN(CCCC)C(=O)CCn1c(=O)sc2ccccc21
InChIInChI=1S/C18H26N2O2S/c1-3-5-12-19(13-6-4-2)17(21)11-14-20-15-9-7-8-10-16(15)23-18(20)22/h7-10H,3-6,11-14H2,1-2H3
InChIKeyNDUYWBLQCSSRHK-UHFFFAOYSA-N
XLogP3.88
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The IUPAC name of N,N-dibutyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (CID 3302615) is N,N-dibutyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.
What is the SMILES notation for N,N-dibutyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The canonical SMILES for N,N-dibutyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is CCCCN(CCCC)C(=O)CCn1c(=O)sc2ccccc21.
What is the InChIKey of N,N-dibutyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The InChIKey is NDUYWBLQCSSRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-3-5-12-19(13-6-4-2)17(21)11-14-20-15-9-7-8-10-16(15)23-18(20)22/h7-10H,3-6,11-14H2,1-2H3.
What are the key properties of N,N-dibutyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
N,N-dibutyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide has a molecular weight of 334.48 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is sourced from PubChem (CID 3302615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).