2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide

C24H21N3O3S — CID 26645041

IUPAC2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)CN(C)Cc1nc3ccccc3s1)oc1ccccc12
InChIInChI=1S/C24H21N3O3S/c1-27(14-24-26-17-8-4-6-10-22(17)31-24)13-23(28)25-18-12-20-16(11-21(18)29-2)15-7-3-5-9-19(15)30-20/h3-12H,13-14H2,1-2H3,(H,25,28)
InChIKeyCNNSFGHDNANSPE-UHFFFAOYSA-N
MW431.52 g/mol
LogP5.27
Rot. Bonds6

About 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide

2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide (PubChem CID 26645041) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide.

Molecular Properties

Compound Name2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide
PubChem CID26645041
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)CN(C)Cc1nc3ccccc3s1)oc1ccccc12
InChIInChI=1S/C24H21N3O3S/c1-27(14-24-26-17-8-4-6-10-22(17)31-24)13-23(28)25-18-12-20-16(11-21(18)29-2)15-7-3-5-9-19(15)30-20/h3-12H,13-14H2,1-2H3,(H,25,28)
InChIKeyCNNSFGHDNANSPE-UHFFFAOYSA-N
XLogP5.27
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.52
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 26645014
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 8801587
2-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826575
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2698922
3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 122120326
4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 17418297
2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide
CID 18136049
methyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate
CID 8803258
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8802197
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 8801647
2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 5144773

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide?
The IUPAC name of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide (CID 26645041) is 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide.
What is the SMILES notation for 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide?
The canonical SMILES for 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide is COc1cc2c(cc1NC(=O)CN(C)Cc1nc3ccccc3s1)oc1ccccc12.
What is the InChIKey of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide?
The InChIKey is CNNSFGHDNANSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-27(14-24-26-17-8-4-6-10-22(17)31-24)13-23(28)25-18-12-20-16(11-21(18)29-2)15-7-3-5-9-19(15)30-20/h3-12H,13-14H2,1-2H3,(H,25,28).
What are the key properties of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide?
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide has a molecular weight of 431.52 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide is sourced from PubChem (CID 26645041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).