4-(butanoylamino)-2-propoxy-N-(1,3-thiazol-2-yl)benzamide

C17H21N3O3S — CID 11233307

IUPAC4-(butanoylamino)-2-propoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCCCOc1cc(NC(=O)CCC)ccc1C(=O)Nc1nccs1
InChIInChI=1S/C17H21N3O3S/c1-3-5-15(21)19-12-6-7-13(14(11-12)23-9-4-2)16(22)20-17-18-8-10-24-17/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,21)(H,18,20,22)
InChIKeyFTEJPGDCOQUMLZ-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.92
Rot. Bonds8

About 4-(butanoylamino)-2-propoxy-N-(1,3-thiazol-2-yl)benzamide

4-(butanoylamino)-2-propoxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 11233307) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-(butanoylamino)-2-propoxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(butanoylamino)-2-propoxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID11233307
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name4-(butanoylamino)-2-propoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCCCOc1cc(NC(=O)CCC)ccc1C(=O)Nc1nccs1
InChIInChI=1S/C17H21N3O3S/c1-3-5-15(21)19-12-6-7-13(14(11-12)23-9-4-2)16(22)20-17-18-8-10-24-17/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,21)(H,18,20,22)
InChIKeyFTEJPGDCOQUMLZ-UHFFFAOYSA-N
XLogP3.92
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-5-chloro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2991114
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 1085315
4-(3,3-dimethylbutyrylamino)-2-methoxy-N-thiazol-2-ylbenzamide
CID 11473488
2-(3-Methylbut-2-enoxy)-4-(thiazol-2-ylamino)benzonitrile
CID 15956096
4-(3,3-Dimethyl-butyrylamino)-3-methoxy-N-thiazol-2-yl-benzamide
CID 16122819
N-(5-(3-(1-acetylpiperazine-4-carbonyl)-4-methoxybenzylthio)thiazol-2-yl)-4-(dimethylamino)benzamide
CID 20635410
2-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 652520
4-Ethoxy-N-(1,3-thiazol-2-YL)benzamide
CID 803176
N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 652401
4-(3,3-Dimethyl-butyrylamino)-5-fluoro-2-methoxy-N-thiazol-2-yl-benzamide
CID 51050227
3-[[2-(2-methoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 1967581
Ethyl 4-(1,3-thiazol-2-ylcarbamoylamino)benzoate
CID 307683

Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-2-propoxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(butanoylamino)-2-propoxy-N-(1,3-thiazol-2-yl)benzamide (CID 11233307) is 4-(butanoylamino)-2-propoxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(butanoylamino)-2-propoxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(butanoylamino)-2-propoxy-N-(1,3-thiazol-2-yl)benzamide is CCCOc1cc(NC(=O)CCC)ccc1C(=O)Nc1nccs1.
What is the InChIKey of 4-(butanoylamino)-2-propoxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is FTEJPGDCOQUMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-3-5-15(21)19-12-6-7-13(14(11-12)23-9-4-2)16(22)20-17-18-8-10-24-17/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,21)(H,18,20,22).
What are the key properties of 4-(butanoylamino)-2-propoxy-N-(1,3-thiazol-2-yl)benzamide?
4-(butanoylamino)-2-propoxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 347.44 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-2-propoxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 11233307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).