N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide

C20H21N3O3S — CID 53030354

IUPACN-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2nsc3ccccc23)c1
InChIInChI=1S/C20H21N3O3S/c1-2-26-12-6-11-21-19(24)14-7-5-8-15(13-14)22-20(25)18-16-9-3-4-10-17(16)27-23-18/h3-5,7-10,13H,2,6,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyFWBGSNKKJINKSS-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.70
Rot. Bonds8

About N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide

N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide (PubChem CID 53030354) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide
PubChem CID53030354
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2nsc3ccccc23)c1
InChIInChI=1S/C20H21N3O3S/c1-2-26-12-6-11-21-19(24)14-7-5-8-15(13-14)22-20(25)18-16-9-3-4-10-17(16)27-23-18/h3-5,7-10,13H,2,6,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyFWBGSNKKJINKSS-UHFFFAOYSA-N
XLogP3.70
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717821
3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-N-(3-ethoxypropyl)benzamide
CID 55801679
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925
4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119180627
2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide
CID 55801849
N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 55801583
3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 55801610
3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride
CID 119286261
4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 51090386

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide?
The IUPAC name of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide (CID 53030354) is N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide is CCOCCCNC(=O)c1cccc(NC(=O)c2nsc3ccccc23)c1.
What is the InChIKey of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide?
The InChIKey is FWBGSNKKJINKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-2-26-12-6-11-21-19(24)14-7-5-8-15(13-14)22-20(25)18-16-9-3-4-10-17(16)27-23-18/h3-5,7-10,13H,2,6,11-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide?
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 53030354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).