N-tert-butyl-2-(4-fluoro-N-(2-pyridin-3-ylacetyl)anilino)-2-thiophen-3-ylacetamide

C23H24FN3O2S — CID 44634819

IUPACN-tert-butyl-2-(4-fluoro-N-(2-pyridin-3-ylacetyl)anilino)-2-thiophen-3-ylacetamide
SMILESCC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C23H24FN3O2S/c1-23(2,3)26-22(29)21(17-10-12-30-15-17)27(19-8-6-18(24)7-9-19)20(28)13-16-5-4-11-25-14-16/h4-12,14-15,21H,13H2,1-3H3,(H,26,29)
InChIKeyYRDMBZDUMUSVDL-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.51
Rot. Bonds6

About N-tert-butyl-2-(4-fluoro-N-(2-pyridin-3-ylacetyl)anilino)-2-thiophen-3-ylacetamide

N-tert-butyl-2-(4-fluoro-N-(2-pyridin-3-ylacetyl)anilino)-2-thiophen-3-ylacetamide (PubChem CID 44634819) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is N-tert-butyl-2-(4-fluoro-N-(2-pyridin-3-ylacetyl)anilino)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-fluoro-N-(2-pyridin-3-ylacetyl)anilino)-2-thiophen-3-ylacetamide
PubChem CID44634819
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC NameN-tert-butyl-2-(4-fluoro-N-(2-pyridin-3-ylacetyl)anilino)-2-thiophen-3-ylacetamide
SMILESCC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C23H24FN3O2S/c1-23(2,3)26-22(29)21(17-10-12-30-15-17)27(19-8-6-18(24)7-9-19)20(28)13-16-5-4-11-25-14-16/h4-12,14-15,21H,13H2,1-3H3,(H,26,29)
InChIKeyYRDMBZDUMUSVDL-UHFFFAOYSA-N
XLogP4.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-fluoro-N-(2-pyridin-3-ylacetyl)anilino)-2-thiophen-3-ylacetamide?
The IUPAC name of N-tert-butyl-2-(4-fluoro-N-(2-pyridin-3-ylacetyl)anilino)-2-thiophen-3-ylacetamide (CID 44634819) is N-tert-butyl-2-(4-fluoro-N-(2-pyridin-3-ylacetyl)anilino)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-tert-butyl-2-(4-fluoro-N-(2-pyridin-3-ylacetyl)anilino)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-tert-butyl-2-(4-fluoro-N-(2-pyridin-3-ylacetyl)anilino)-2-thiophen-3-ylacetamide is CC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cc1cccnc1)c1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-2-(4-fluoro-N-(2-pyridin-3-ylacetyl)anilino)-2-thiophen-3-ylacetamide?
The InChIKey is YRDMBZDUMUSVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-23(2,3)26-22(29)21(17-10-12-30-15-17)27(19-8-6-18(24)7-9-19)20(28)13-16-5-4-11-25-14-16/h4-12,14-15,21H,13H2,1-3H3,(H,26,29).
What are the key properties of N-tert-butyl-2-(4-fluoro-N-(2-pyridin-3-ylacetyl)anilino)-2-thiophen-3-ylacetamide?
N-tert-butyl-2-(4-fluoro-N-(2-pyridin-3-ylacetyl)anilino)-2-thiophen-3-ylacetamide has a molecular weight of 425.53 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-fluoro-N-(2-pyridin-3-ylacetyl)anilino)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 44634819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).