N-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

C20H27N3O2S — CID 4067037

IUPACN-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
SMILESCCCCc1ccc(C(=O)N(CC(=O)Nc2nccs2)C(C)(C)C)cc1
InChIInChI=1S/C20H27N3O2S/c1-5-6-7-15-8-10-16(11-9-15)18(25)23(20(2,3)4)14-17(24)22-19-21-12-13-26-19/h8-13H,5-7,14H2,1-4H3,(H,21,22,24)
InChIKeyFXZUNFYVPOEFSY-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.37
Rot. Bonds7

About N-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

N-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide (PubChem CID 4067037) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
PubChem CID4067037
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
SMILESCCCCc1ccc(C(=O)N(CC(=O)Nc2nccs2)C(C)(C)C)cc1
InChIInChI=1S/C20H27N3O2S/c1-5-6-7-15-8-10-16(11-9-15)18(25)23(20(2,3)4)14-17(24)22-19-21-12-13-26-19/h8-13H,5-7,14H2,1-4H3,(H,21,22,24)
InChIKeyFXZUNFYVPOEFSY-UHFFFAOYSA-N
XLogP4.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide 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

4-bromo-N-tert-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 3494615
N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-pentylbenzamide
CID 4178984
N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 3683934
4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 4168579
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 5046659
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
CID 42664145
3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 19221204
(2S)-N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenylacetamide
CID 7261059
methyl 2-[[tert-butyl-(4-butylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3347913
N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 5105483
N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 814245
2-[(4-tert-butylphenyl)methyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134032

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The IUPAC name of N-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide (CID 4067037) is N-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide.
What is the SMILES notation for N-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The canonical SMILES for N-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide is CCCCc1ccc(C(=O)N(CC(=O)Nc2nccs2)C(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The InChIKey is FXZUNFYVPOEFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-5-6-7-15-8-10-16(11-9-15)18(25)23(20(2,3)4)14-17(24)22-19-21-12-13-26-19/h8-13H,5-7,14H2,1-4H3,(H,21,22,24).
What are the key properties of N-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
N-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide has a molecular weight of 373.52 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 4067037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).