2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-N-(2-methoxyphenyl)acetamide

C22H24N2O2S — CID 39952051

IUPAC2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CC1(Cc2nc3ccccc3s2)CCCC1
InChIInChI=1S/C22H24N2O2S/c1-26-18-10-4-2-8-16(18)23-20(25)14-22(12-6-7-13-22)15-21-24-17-9-3-5-11-19(17)27-21/h2-5,8-11H,6-7,12-15H2,1H3,(H,23,25)
InChIKeyLKOUYNLJWSELCC-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.44
Rot. Bonds6

About 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-N-(2-methoxyphenyl)acetamide

2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-N-(2-methoxyphenyl)acetamide (PubChem CID 39952051) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-N-(2-methoxyphenyl)acetamide
PubChem CID39952051
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CC1(Cc2nc3ccccc3s2)CCCC1
InChIInChI=1S/C22H24N2O2S/c1-26-18-10-4-2-8-16(18)23-20(25)14-22(12-6-7-13-22)15-21-24-17-9-3-5-11-19(17)27-21/h2-5,8-11H,6-7,12-15H2,1H3,(H,23,25)
InChIKeyLKOUYNLJWSELCC-UHFFFAOYSA-N
XLogP5.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]acetate
CID 4830139
N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7506157
2-(1-hydroxycyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 111331493
2-(1-aminocyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 64685514
3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 851293
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 17494260
methyl (2S,4S)-1-[2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetyl]-4-methoxypyrrolidine-2-carboxylate
CID 97315714
4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 17418297
4-[2-[[2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 136559987
2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)acetamide
CID 54767541
2-[1-(aminomethyl)cyclohexyl]-N-(1,3-benzothiazol-2-yl)acetamide
CID 104677484
[2-(2-nitroanilino)-2-oxoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate
CID 43027218

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-N-(2-methoxyphenyl)acetamide (CID 39952051) is 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CC1(Cc2nc3ccccc3s2)CCCC1.
What is the InChIKey of 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is LKOUYNLJWSELCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-26-18-10-4-2-8-16(18)23-20(25)14-22(12-6-7-13-22)15-21-24-17-9-3-5-11-19(17)27-21/h2-5,8-11H,6-7,12-15H2,1H3,(H,23,25).
What are the key properties of 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-N-(2-methoxyphenyl)acetamide?
2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 380.51 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 39952051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).