N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-2-fluorobenzamide

C25H27FN2O2S — CID 1059513

IUPACN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-2-fluorobenzamide
SMILESCC(C)(C)N(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)c1ccccc1F
InChIInChI=1S/C25H27FN2O2S/c1-25(2,3)28(24(30)21-13-7-8-14-22(21)26)18-23(29)27(17-20-12-9-15-31-20)16-19-10-5-4-6-11-19/h4-15H,16-18H2,1-3H3
InChIKeyRENBVFMSKUGXQZ-UHFFFAOYSA-N
MW438.57 g/mol
LogP5.36
Rot. Bonds7

About N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-2-fluorobenzamide

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-2-fluorobenzamide (PubChem CID 1059513) has the molecular formula C25H27FN2O2S and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-2-fluorobenzamide
PubChem CID1059513
Molecular FormulaC25H27FN2O2S
Molecular Weight438.57 g/mol
Exact Mass438.18
IUPAC NameN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-2-fluorobenzamide
SMILESCC(C)(C)N(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)c1ccccc1F
InChIInChI=1S/C25H27FN2O2S/c1-25(2,3)28(24(30)21-13-7-8-14-22(21)26)18-23(29)27(17-20-12-9-15-31-20)16-19-10-5-4-6-11-19/h4-15H,16-18H2,1-3H3
InChIKeyRENBVFMSKUGXQZ-UHFFFAOYSA-N
XLogP5.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[acetyl(cyclopropylmethyl)amino]-N-benzyl-N-(thiophen-2-ylmethyl)acetamide
CID 4600154
N-benzyl-2-[tert-butyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
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CID 4017696
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-fluorobenzamide
CID 3403213
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-fluoro-N-propylbenzamide
CID 4036279
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-fluoro-N-propan-2-ylbenzamide
CID 1059749
N-benzyl-2-[(2-fluorophenyl)carbamoyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4664024
[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-[(2R)-butan-2-yl]azanium
CID 7439225
2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78789331
2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-2-fluorobenzamide?
The IUPAC name of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-2-fluorobenzamide (CID 1059513) is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-2-fluorobenzamide.
What is the SMILES notation for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-2-fluorobenzamide?
The canonical SMILES for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-2-fluorobenzamide is CC(C)(C)N(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)c1ccccc1F.
What is the InChIKey of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-2-fluorobenzamide?
The InChIKey is RENBVFMSKUGXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O2S/c1-25(2,3)28(24(30)21-13-7-8-14-22(21)26)18-23(29)27(17-20-12-9-15-31-20)16-19-10-5-4-6-11-19/h4-15H,16-18H2,1-3H3.
What are the key properties of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-2-fluorobenzamide?
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-2-fluorobenzamide has a molecular weight of 438.57 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-2-fluorobenzamide is sourced from PubChem (CID 1059513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).