2-(butylamino)-N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-4-methoxybenzamide

C24H27N3O2S — CID 123467518

IUPAC2-(butylamino)-N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-4-methoxybenzamide
SMILESCCCCNc1cc(OC)ccc1C(=O)Nc1ccc(-c2csc(C3CC3)n2)cc1
InChIInChI=1S/C24H27N3O2S/c1-3-4-13-25-21-14-19(29-2)11-12-20(21)23(28)26-18-9-7-16(8-10-18)22-15-30-24(27-22)17-5-6-17/h7-12,14-15,17,25H,3-6,13H2,1-2H3,(H,26,28)
InChIKeyIMGYMYGXMKTCHZ-UHFFFAOYSA-N
MW421.57 g/mol
LogP6.16
Rot. Bonds9

About 2-(butylamino)-N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-4-methoxybenzamide

2-(butylamino)-N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-4-methoxybenzamide (PubChem CID 123467518) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-(butylamino)-N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-(butylamino)-N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-4-methoxybenzamide
PubChem CID123467518
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name2-(butylamino)-N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-4-methoxybenzamide
SMILESCCCCNc1cc(OC)ccc1C(=O)Nc1ccc(-c2csc(C3CC3)n2)cc1
InChIInChI=1S/C24H27N3O2S/c1-3-4-13-25-21-14-19(29-2)11-12-20(21)23(28)26-18-9-7-16(8-10-18)22-15-30-24(27-22)17-5-6-17/h7-12,14-15,17,25H,3-6,13H2,1-2H3,(H,26,28)
InChIKeyIMGYMYGXMKTCHZ-UHFFFAOYSA-N
XLogP6.16
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.57
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(butylamino)-N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-4-methoxybenzamide 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-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)benzamide
CID 46394880
N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 35619010
N-(4-chlorophenyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide
CID 53037722
N-[3-chloro-4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 53308305
N-[4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide
CID 4997777
N-(5-methoxy-2-phenylphenyl)-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 59209312
N-[4-(butylamino)phenyl]-4-methoxybenzamide
CID 112980225
2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109248366
N-[3-chloro-4-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenyl]-2-(2-hydroxyethylamino)-4-methoxybenzamide
CID 53308303
N-[4-[2-(2,4-dimethoxyanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 1092446
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,5-dimethoxybenzamide
CID 28865073
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-4-methoxybenzamide?
The IUPAC name of 2-(butylamino)-N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-4-methoxybenzamide (CID 123467518) is 2-(butylamino)-N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for 2-(butylamino)-N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-4-methoxybenzamide?
The canonical SMILES for 2-(butylamino)-N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-4-methoxybenzamide is CCCCNc1cc(OC)ccc1C(=O)Nc1ccc(-c2csc(C3CC3)n2)cc1.
What is the InChIKey of 2-(butylamino)-N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-4-methoxybenzamide?
The InChIKey is IMGYMYGXMKTCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-3-4-13-25-21-14-19(29-2)11-12-20(21)23(28)26-18-9-7-16(8-10-18)22-15-30-24(27-22)17-5-6-17/h7-12,14-15,17,25H,3-6,13H2,1-2H3,(H,26,28).
What are the key properties of 2-(butylamino)-N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-4-methoxybenzamide?
2-(butylamino)-N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-4-methoxybenzamide has a molecular weight of 421.57 g/mol, XLogP of 6.16, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 123467518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).