N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N'-(4-cyclopentyloxyphenyl)oxamide

C22H24N4O3S — CID 47044394

IUPACN-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N'-(4-cyclopentyloxyphenyl)oxamide
SMILESO=C(NCCNc1nc2ccccc2s1)C(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C22H24N4O3S/c27-20(23-13-14-24-22-26-18-7-3-4-8-19(18)30-22)21(28)25-15-9-11-17(12-10-15)29-16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13-14H2,(H,23,27)(H,24,26)(H,25,28)
InChIKeyDOONGDIGQRPRQZ-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.78
Rot. Bonds7

About N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N'-(4-cyclopentyloxyphenyl)oxamide

N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N'-(4-cyclopentyloxyphenyl)oxamide (PubChem CID 47044394) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N'-(4-cyclopentyloxyphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N'-(4-cyclopentyloxyphenyl)oxamide
PubChem CID47044394
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N'-(4-cyclopentyloxyphenyl)oxamide
SMILESO=C(NCCNc1nc2ccccc2s1)C(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C22H24N4O3S/c27-20(23-13-14-24-22-26-18-7-3-4-8-19(18)30-22)21(28)25-15-9-11-17(12-10-15)29-16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13-14H2,(H,23,27)(H,24,26)(H,25,28)
InChIKeyDOONGDIGQRPRQZ-UHFFFAOYSA-N
XLogP3.78
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N'-(4-cyclopentyloxyphenyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 12741817
2-(1,3-benzothiazol-2-ylamino)-N-(cyclobutylmethyl)ethanesulfonamide
CID 133295840
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3,3-dimethylbutanamide
CID 47165966
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(methylamino)acetamide
CID 120703645
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
(2S)-N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-ethoxypropanamide
CID 94809192
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N'-(4-ethoxyphenyl)oxamide
CID 73167610
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98785876
2-(4-cyclopentyloxyanilino)-N-phenylacetamide
CID 39998941
2-(1,3-benzothiazol-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 4153811
2-chloro-N-(4-cyclopentyloxyphenyl)acetamide
CID 39356793

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N'-(4-cyclopentyloxyphenyl)oxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N'-(4-cyclopentyloxyphenyl)oxamide (CID 47044394) is N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N'-(4-cyclopentyloxyphenyl)oxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N'-(4-cyclopentyloxyphenyl)oxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N'-(4-cyclopentyloxyphenyl)oxamide is O=C(NCCNc1nc2ccccc2s1)C(=O)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N'-(4-cyclopentyloxyphenyl)oxamide?
The InChIKey is DOONGDIGQRPRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c27-20(23-13-14-24-22-26-18-7-3-4-8-19(18)30-22)21(28)25-15-9-11-17(12-10-15)29-16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13-14H2,(H,23,27)(H,24,26)(H,25,28).
What are the key properties of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N'-(4-cyclopentyloxyphenyl)oxamide?
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N'-(4-cyclopentyloxyphenyl)oxamide has a molecular weight of 424.53 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N'-(4-cyclopentyloxyphenyl)oxamide is sourced from PubChem (CID 47044394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).