N-[2-(1-benzofuran-4-carbonylamino)-1-cyclopropylethyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide

C26H25N3O3S — CID 25188684

IUPACN-[2-(1-benzofuran-4-carbonylamino)-1-cyclopropylethyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)C(CNC(=O)c2cccc3occc23)C2CC2)c(-c2ccccc2)s1
InChIInChI=1S/C26H25N3O3S/c1-16-28-23(24(33-16)18-7-4-3-5-8-18)26(31)29(2)21(17-11-12-17)15-27-25(30)20-9-6-10-22-19(20)13-14-32-22/h3-10,13-14,17,21H,11-12,15H2,1-2H3,(H,27,30)
InChIKeyBFFFDINOGVIUIJ-UHFFFAOYSA-N
MW459.57 g/mol
LogP5.15
Rot. Bonds7

About N-[2-(1-benzofuran-4-carbonylamino)-1-cyclopropylethyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide

N-[2-(1-benzofuran-4-carbonylamino)-1-cyclopropylethyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 25188684) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[2-(1-benzofuran-4-carbonylamino)-1-cyclopropylethyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-4-carbonylamino)-1-cyclopropylethyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID25188684
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC NameN-[2-(1-benzofuran-4-carbonylamino)-1-cyclopropylethyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)C(CNC(=O)c2cccc3occc23)C2CC2)c(-c2ccccc2)s1
InChIInChI=1S/C26H25N3O3S/c1-16-28-23(24(33-16)18-7-4-3-5-8-18)26(31)29(2)21(17-11-12-17)15-27-25(30)20-9-6-10-22-19(20)13-14-32-22/h3-10,13-14,17,21H,11-12,15H2,1-2H3,(H,27,30)
InChIKeyBFFFDINOGVIUIJ-UHFFFAOYSA-N
XLogP5.15
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(1-benzofuran-4-carbonylamino)-1-cyclopropylethyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-(1-benzofuran-4-carbonylamino)-3-methylbutan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 67447077
N-[1-(1-benzofuran-4-carbonylamino)-3-methylbutan-2-yl]-N-benzyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 67447704
N-[(2S)-1-(1-benzofuran-4-carbonylamino)-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 67449613
N-[2-(1-benzofuran-4-carbonylamino)ethyl]-N-cyclopropyl-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 67448612
N-[[2-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]methyl]-1-benzofuran-4-carboxamide
CID 123231274
N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 67018139
N-[(2R)-3-amino-2-methyl-3-oxopropyl]-1-benzofuran-4-carboxamide
CID 71223636
N-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 67018181
N-[(2S)-2-(benzylamino)-3-methylbutyl]-1-benzofuran-4-carboxamide
CID 68742546
N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68724081
N-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride
CID 67018178
N-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide
CID 68724609

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-4-carbonylamino)-1-cyclopropylethyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(1-benzofuran-4-carbonylamino)-1-cyclopropylethyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide (CID 25188684) is N-[2-(1-benzofuran-4-carbonylamino)-1-cyclopropylethyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(1-benzofuran-4-carbonylamino)-1-cyclopropylethyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(1-benzofuran-4-carbonylamino)-1-cyclopropylethyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(C)C(CNC(=O)c2cccc3occc23)C2CC2)c(-c2ccccc2)s1.
What is the InChIKey of N-[2-(1-benzofuran-4-carbonylamino)-1-cyclopropylethyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is BFFFDINOGVIUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-16-28-23(24(33-16)18-7-4-3-5-8-18)26(31)29(2)21(17-11-12-17)15-27-25(30)20-9-6-10-22-19(20)13-14-32-22/h3-10,13-14,17,21H,11-12,15H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(1-benzofuran-4-carbonylamino)-1-cyclopropylethyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide?
N-[2-(1-benzofuran-4-carbonylamino)-1-cyclopropylethyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-4-carbonylamino)-1-cyclopropylethyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25188684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).