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

C20H25N3O4S — CID 11200498

IUPAC4-[(2-cyclopentylacetyl)amino]-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESCOCCOc1cc(NC(=O)CC2CCCC2)ccc1C(=O)Nc1nccs1
InChIInChI=1S/C20H25N3O4S/c1-26-9-10-27-17-13-15(22-18(24)12-14-4-2-3-5-14)6-7-16(17)19(25)23-20-21-8-11-28-20/h6-8,11,13-14H,2-5,9-10,12H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyIYIWMUWITZQFPV-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.94
Rot. Bonds9

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

4-[(2-cyclopentylacetyl)amino]-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 11200498) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-[(2-cyclopentylacetyl)amino]-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2-cyclopentylacetyl)amino]-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID11200498
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name4-[(2-cyclopentylacetyl)amino]-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESCOCCOc1cc(NC(=O)CC2CCCC2)ccc1C(=O)Nc1nccs1
InChIInChI=1S/C20H25N3O4S/c1-26-9-10-27-17-13-15(22-18(24)12-14-4-2-3-5-14)6-7-16(17)19(25)23-20-21-8-11-28-20/h6-8,11,13-14H,2-5,9-10,12H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyIYIWMUWITZQFPV-UHFFFAOYSA-N
XLogP3.94
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 652520
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
N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956090
N-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956093
2-(3-Furylmethoxy)-4-(thiazol-2-ylamino)benzonitrile
CID 15956101
2-isopropoxy-N-(1,3-thiazol-2-yl)benzamide
CID 15943095
N-[3-(3-methylbut-2-enoxy)-4-propyl-phenyl]thiazol-2-amine
CID 15956094
N-[4-isopropyl-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956095

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopentylacetyl)amino]-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(2-cyclopentylacetyl)amino]-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide (CID 11200498) is 4-[(2-cyclopentylacetyl)amino]-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(2-cyclopentylacetyl)amino]-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(2-cyclopentylacetyl)amino]-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide is COCCOc1cc(NC(=O)CC2CCCC2)ccc1C(=O)Nc1nccs1.
What is the InChIKey of 4-[(2-cyclopentylacetyl)amino]-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is IYIWMUWITZQFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-26-9-10-27-17-13-15(22-18(24)12-14-4-2-3-5-14)6-7-16(17)19(25)23-20-21-8-11-28-20/h6-8,11,13-14H,2-5,9-10,12H2,1H3,(H,22,24)(H,21,23,25).
What are the key properties of 4-[(2-cyclopentylacetyl)amino]-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide?
4-[(2-cyclopentylacetyl)amino]-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 403.50 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopentylacetyl)amino]-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 11200498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).