N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide

C27H29FN2O4S — CID 3202665

IUPACN-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(F)c2)cc1OC
InChIInChI=1S/C27H29FN2O4S/c1-33-23-13-12-18(15-24(23)34-2)26(27(32)29-20-8-3-4-9-20)30(21-10-5-7-19(28)16-21)25(31)17-22-11-6-14-35-22/h5-7,10-16,20,26H,3-4,8-9,17H2,1-2H3,(H,29,32)
InChIKeyQDQCSSIEDORINX-UHFFFAOYSA-N
MW496.60 g/mol
LogP5.28
Rot. Bonds9

About N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide

N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide (PubChem CID 3202665) has the molecular formula C27H29FN2O4S and a molecular weight of 496.60 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide
PubChem CID3202665
Molecular FormulaC27H29FN2O4S
Molecular Weight496.60 g/mol
Exact Mass496.18
IUPAC NameN-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(F)c2)cc1OC
InChIInChI=1S/C27H29FN2O4S/c1-33-23-13-12-18(15-24(23)34-2)26(27(32)29-20-8-3-4-9-20)30(21-10-5-7-19(28)16-21)25(31)17-22-11-6-14-35-22/h5-7,10-16,20,26H,3-4,8-9,17H2,1-2H3,(H,29,32)
InChIKeyQDQCSSIEDORINX-UHFFFAOYSA-N
XLogP5.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.60
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 1946933
CID 1946933
CID 1968406
CID 1968406
CID 3378615
CID 3378615
CID 1078727
CID 1078727
CID 3202779
CID 3202779
CID 3202918
CID 3202918
CID 3215732
CID 3215732
CID 3215755
CID 3215755
CID 3215760
CID 3215760
CID 3215768
CID 3215768
CID 3215889
CID 3215889
CID 3215941
CID 3215941

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The IUPAC name of N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide (CID 3202665) is N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide is COc1ccc(C(C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(F)c2)cc1OC.
What is the InChIKey of N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The InChIKey is QDQCSSIEDORINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O4S/c1-33-23-13-12-18(15-24(23)34-2)26(27(32)29-20-8-3-4-9-20)30(21-10-5-7-19(28)16-21)25(31)17-22-11-6-14-35-22/h5-7,10-16,20,26H,3-4,8-9,17H2,1-2H3,(H,29,32).
What are the key properties of N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide has a molecular weight of 496.60 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,4-dimethoxyphenyl)-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide is sourced from PubChem (CID 3202665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).