4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide

C18H21N3O3S — CID 11222117

IUPAC4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nccs2)ccc1NC(=O)CC1CCCC1
InChIInChI=1S/C18H21N3O3S/c1-24-15-11-13(17(23)21-18-19-8-9-25-18)6-7-14(15)20-16(22)10-12-4-2-3-5-12/h6-9,11-12H,2-5,10H2,1H3,(H,20,22)(H,19,21,23)
InChIKeyLYYACKDKAYJOAV-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.92
Rot. Bonds6

About 4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide

4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 11222117) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID11222117
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nccs2)ccc1NC(=O)CC1CCCC1
InChIInChI=1S/C18H21N3O3S/c1-24-15-11-13(17(23)21-18-19-8-9-25-18)6-7-14(15)20-16(22)10-12-4-2-3-5-12/h6-9,11-12H,2-5,10H2,1H3,(H,20,22)(H,19,21,23)
InChIKeyLYYACKDKAYJOAV-UHFFFAOYSA-N
XLogP3.92
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-cyclopentylacetyl)amino]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide
CID 11314022
3-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2083346
4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2666591
N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide
CID 104847616
4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7740772
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732830
4-[(2-cyclopentylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 9244990
4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 652627
4-(butanoylamino)-3-chloro-N-(1,3-thiazol-2-yl)benzamide
CID 11347887
3-(3-aminoprop-1-ynyl)-4-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 61033326
4-[(2-cycloheptylacetyl)amino]-3-methoxy-2-(1,3-thiazol-2-yl)benzamide
CID 142775316

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide (CID 11222117) is 4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide is COc1cc(C(=O)Nc2nccs2)ccc1NC(=O)CC1CCCC1.
What is the InChIKey of 4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is LYYACKDKAYJOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-24-15-11-13(17(23)21-18-19-8-9-25-18)6-7-14(15)20-16(22)10-12-4-2-3-5-12/h6-9,11-12H,2-5,10H2,1H3,(H,20,22)(H,19,21,23).
What are the key properties of 4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide?
4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 359.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 11222117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).