4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide

C27H27N3O2S — CID 3523030

IUPAC4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCCCCc1ccc(C(=O)Nc2cccc(-c3csc(Nc4cccc(OC)c4)n3)c2)cc1
InChIInChI=1S/C27H27N3O2S/c1-3-4-7-19-12-14-20(15-13-19)26(31)28-22-9-5-8-21(16-22)25-18-33-27(30-25)29-23-10-6-11-24(17-23)32-2/h5-6,8-18H,3-4,7H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyYXXQLCDSEDNDQU-UHFFFAOYSA-N
MW457.60 g/mol
LogP7.16
Rot. Bonds9

About 4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide

4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 3523030) has the molecular formula C27H27N3O2S and a molecular weight of 457.60 g/mol. Its IUPAC name is 4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID3523030
Molecular FormulaC27H27N3O2S
Molecular Weight457.60 g/mol
Exact Mass457.18
IUPAC Name4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCCCCc1ccc(C(=O)Nc2cccc(-c3csc(Nc4cccc(OC)c4)n3)c2)cc1
InChIInChI=1S/C27H27N3O2S/c1-3-4-7-19-12-14-20(15-13-19)26(31)28-22-9-5-8-21(16-22)25-18-33-27(30-25)29-23-10-6-11-24(17-23)32-2/h5-6,8-18H,3-4,7H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyYXXQLCDSEDNDQU-UHFFFAOYSA-N
XLogP7.16
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.60
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide
CID 5151529
N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 42765523
4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3877402
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
N-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide
CID 3366110
2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5012288
N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-4-pentylbenzamide
CID 46090574
N-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide
CID 42764822
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 19196276
N-[[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343570
3-cyclopentyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3887660

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide (CID 3523030) is 4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide is CCCCc1ccc(C(=O)Nc2cccc(-c3csc(Nc4cccc(OC)c4)n3)c2)cc1.
What is the InChIKey of 4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is YXXQLCDSEDNDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2S/c1-3-4-7-19-12-14-20(15-13-19)26(31)28-22-9-5-8-21(16-22)25-18-33-27(30-25)29-23-10-6-11-24(17-23)32-2/h5-6,8-18H,3-4,7H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of 4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 457.60 g/mol, XLogP of 7.16, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 3523030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).