N-[3-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]-3,4,5-trimethoxybenzamide

C23H25N3O5S — CID 4000067

IUPACN-[3-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCCCC(=O)Nc1nc(-c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cs1
InChIInChI=1S/C23H25N3O5S/c1-5-7-20(27)26-23-25-17(13-32-23)14-8-6-9-16(10-14)24-22(28)15-11-18(29-2)21(31-4)19(12-15)30-3/h6,8-13H,5,7H2,1-4H3,(H,24,28)(H,25,26,27)
InChIKeySXKBANLITIZIGK-UHFFFAOYSA-N
MW455.54 g/mol
LogP4.83
Rot. Bonds9

About N-[3-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]-3,4,5-trimethoxybenzamide

N-[3-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 4000067) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[3-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID4000067
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC NameN-[3-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCCCC(=O)Nc1nc(-c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cs1
InChIInChI=1S/C23H25N3O5S/c1-5-7-20(27)26-23-25-17(13-32-23)14-8-6-9-16(10-14)24-22(28)15-11-18(29-2)21(31-4)19(12-15)30-3/h6,8-13H,5,7H2,1-4H3,(H,24,28)(H,25,26,27)
InChIKeySXKBANLITIZIGK-UHFFFAOYSA-N
XLogP4.83
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3917091
N-(4-phenyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2598512
3,4-dimethoxy-N-[3-[2-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18899449
4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3877402
N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901622
4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide
CID 17490429
3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8916252
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165
N-[3-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-4-methoxybenzamide
CID 18899657
N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-2-methoxyacetamide
CID 810478
3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008469

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]-3,4,5-trimethoxybenzamide (CID 4000067) is N-[3-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]-3,4,5-trimethoxybenzamide is CCCC(=O)Nc1nc(-c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cs1.
What is the InChIKey of N-[3-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is SXKBANLITIZIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-5-7-20(27)26-23-25-17(13-32-23)14-8-6-9-16(10-14)24-22(28)15-11-18(29-2)21(31-4)19(12-15)30-3/h6,8-13H,5,7H2,1-4H3,(H,24,28)(H,25,26,27).
What are the key properties of N-[3-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]-3,4,5-trimethoxybenzamide?
N-[3-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 455.54 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 4000067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).