N-tert-butyl-2-[4-(fluoromethoxy)-N-(2-pyridin-3-ylacetyl)anilino]-2-thiophen-3-ylacetamide

C24H26FN3O3S — CID 44634821

IUPACN-tert-butyl-2-[4-(fluoromethoxy)-N-(2-pyridin-3-ylacetyl)anilino]-2-thiophen-3-ylacetamide
SMILESCC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cc1cccnc1)c1ccc(OCF)cc1
InChIInChI=1S/C24H26FN3O3S/c1-24(2,3)27-23(30)22(18-10-12-32-15-18)28(19-6-8-20(9-7-19)31-16-25)21(29)13-17-5-4-11-26-14-17/h4-12,14-15,22H,13,16H2,1-3H3,(H,27,30)
InChIKeyTXAXSNHKHRFQJP-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.68
Rot. Bonds8

About N-tert-butyl-2-[4-(fluoromethoxy)-N-(2-pyridin-3-ylacetyl)anilino]-2-thiophen-3-ylacetamide

N-tert-butyl-2-[4-(fluoromethoxy)-N-(2-pyridin-3-ylacetyl)anilino]-2-thiophen-3-ylacetamide (PubChem CID 44634821) has the molecular formula C24H26FN3O3S and a molecular weight of 455.56 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(fluoromethoxy)-N-(2-pyridin-3-ylacetyl)anilino]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(fluoromethoxy)-N-(2-pyridin-3-ylacetyl)anilino]-2-thiophen-3-ylacetamide
PubChem CID44634821
Molecular FormulaC24H26FN3O3S
Molecular Weight455.56 g/mol
Exact Mass455.17
IUPAC NameN-tert-butyl-2-[4-(fluoromethoxy)-N-(2-pyridin-3-ylacetyl)anilino]-2-thiophen-3-ylacetamide
SMILESCC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cc1cccnc1)c1ccc(OCF)cc1
InChIInChI=1S/C24H26FN3O3S/c1-24(2,3)27-23(30)22(18-10-12-32-15-18)28(19-6-8-20(9-7-19)31-16-25)21(29)13-17-5-4-11-26-14-17/h4-12,14-15,22H,13,16H2,1-3H3,(H,27,30)
InChIKeyTXAXSNHKHRFQJP-UHFFFAOYSA-N
XLogP4.68
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(fluoromethoxy)-N-(2-pyridin-3-ylacetyl)anilino]-2-thiophen-3-ylacetamide?
The IUPAC name of N-tert-butyl-2-[4-(fluoromethoxy)-N-(2-pyridin-3-ylacetyl)anilino]-2-thiophen-3-ylacetamide (CID 44634821) is N-tert-butyl-2-[4-(fluoromethoxy)-N-(2-pyridin-3-ylacetyl)anilino]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(fluoromethoxy)-N-(2-pyridin-3-ylacetyl)anilino]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-tert-butyl-2-[4-(fluoromethoxy)-N-(2-pyridin-3-ylacetyl)anilino]-2-thiophen-3-ylacetamide is CC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cc1cccnc1)c1ccc(OCF)cc1.
What is the InChIKey of N-tert-butyl-2-[4-(fluoromethoxy)-N-(2-pyridin-3-ylacetyl)anilino]-2-thiophen-3-ylacetamide?
The InChIKey is TXAXSNHKHRFQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3S/c1-24(2,3)27-23(30)22(18-10-12-32-15-18)28(19-6-8-20(9-7-19)31-16-25)21(29)13-17-5-4-11-26-14-17/h4-12,14-15,22H,13,16H2,1-3H3,(H,27,30).
What are the key properties of N-tert-butyl-2-[4-(fluoromethoxy)-N-(2-pyridin-3-ylacetyl)anilino]-2-thiophen-3-ylacetamide?
N-tert-butyl-2-[4-(fluoromethoxy)-N-(2-pyridin-3-ylacetyl)anilino]-2-thiophen-3-ylacetamide has a molecular weight of 455.56 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(fluoromethoxy)-N-(2-pyridin-3-ylacetyl)anilino]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 44634821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).