N-(3-acetamidophenyl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide

C22H23N3O2S — CID 9319098

IUPACN-(3-acetamidophenyl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2(Cc3nc4ccccc4s3)CCCC2)c1
InChIInChI=1S/C22H23N3O2S/c1-15(26)23-16-7-6-8-17(13-16)24-21(27)22(11-4-5-12-22)14-20-25-18-9-2-3-10-19(18)28-20/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyRXNCGSTUYXBKRH-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.00
Rot. Bonds5

About N-(3-acetamidophenyl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide

N-(3-acetamidophenyl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 9319098) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide
PubChem CID9319098
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-(3-acetamidophenyl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2(Cc3nc4ccccc4s3)CCCC2)c1
InChIInChI=1S/C22H23N3O2S/c1-15(26)23-16-7-6-8-17(13-16)24-21(27)22(11-4-5-12-22)14-20-25-18-9-2-3-10-19(18)28-20/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyRXNCGSTUYXBKRH-UHFFFAOYSA-N
XLogP5.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 43470940
N-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide
CID 8849903
1-(1,3-benzothiazol-2-ylmethyl)-N-butylcyclopentane-1-carboxamide
CID 43021084
1-(1,3-benzothiazol-2-ylmethyl)-N-(tetrazolidin-5-yl)cyclopentane-1-carboxamide
CID 134063872
1-(1,3-benzothiazol-2-ylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 71885629
N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7698043
3-(1,3-benzothiazol-2-ylmethyl)-1,1-dioxothiolane-3-carboxylic acid
CID 104632352
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate
CID 43027221
1-(1,3-benzothiazol-2-ylmethyl)-4-ethylcyclohexane-1-carboxylic acid
CID 104632347
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate
CID 16559062
1-(aminomethyl)-N-(1,3-benzothiazol-2-yl)cycloheptane-1-carboxamide
CID 115443740
[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate
CID 16565359

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide (CID 9319098) is N-(3-acetamidophenyl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide is CC(=O)Nc1cccc(NC(=O)C2(Cc3nc4ccccc4s3)CCCC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is RXNCGSTUYXBKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-15(26)23-16-7-6-8-17(13-16)24-21(27)22(11-4-5-12-22)14-20-25-18-9-2-3-10-19(18)28-20/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(3-acetamidophenyl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide?
N-(3-acetamidophenyl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 9319098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).