2-tert-butylsulfonyl-N-[4-fluoro-2-(propan-2-ylamino)phenyl]acetamide

C15H23FN2O3S — CID 86781745

IUPAC2-tert-butylsulfonyl-N-[4-fluoro-2-(propan-2-ylamino)phenyl]acetamide
SMILESCC(C)Nc1cc(F)ccc1NC(=O)CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H23FN2O3S/c1-10(2)17-13-8-11(16)6-7-12(13)18-14(19)9-22(20,21)15(3,4)5/h6-8,10,17H,9H2,1-5H3,(H,18,19)
InChIKeyAPYCOTQHKHZIDR-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.80
Rot. Bonds5

About 2-tert-butylsulfonyl-N-[4-fluoro-2-(propan-2-ylamino)phenyl]acetamide

2-tert-butylsulfonyl-N-[4-fluoro-2-(propan-2-ylamino)phenyl]acetamide (PubChem CID 86781745) has the molecular formula C15H23FN2O3S and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-tert-butylsulfonyl-N-[4-fluoro-2-(propan-2-ylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfonyl-N-[4-fluoro-2-(propan-2-ylamino)phenyl]acetamide
PubChem CID86781745
Molecular FormulaC15H23FN2O3S
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC Name2-tert-butylsulfonyl-N-[4-fluoro-2-(propan-2-ylamino)phenyl]acetamide
SMILESCC(C)Nc1cc(F)ccc1NC(=O)CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H23FN2O3S/c1-10(2)17-13-8-11(16)6-7-12(13)18-14(19)9-22(20,21)15(3,4)5/h6-8,10,17H,9H2,1-5H3,(H,18,19)
InChIKeyAPYCOTQHKHZIDR-UHFFFAOYSA-N
XLogP2.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide
CID 119873547
7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide
CID 119873503
2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
CID 119856698
N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119873541
3-[[4-fluoro-2-(propan-2-ylamino)anilino]methyl]but-3-en-2-one
CID 129167800
N-(2-acetamido-5-fluorophenyl)-3-methylbutanamide
CID 113092923
N-[2-[5-fluoro-2-(propan-2-ylamino)anilino]-2-oxoethyl]-5-hydroxypentanamide
CID 166390651
N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide
CID 71983867
2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride
CID 119856686
N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide
CID 79766482
N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119856694
(2S)-2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]butanamide
CID 119856697

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonyl-N-[4-fluoro-2-(propan-2-ylamino)phenyl]acetamide?
The IUPAC name of 2-tert-butylsulfonyl-N-[4-fluoro-2-(propan-2-ylamino)phenyl]acetamide (CID 86781745) is 2-tert-butylsulfonyl-N-[4-fluoro-2-(propan-2-ylamino)phenyl]acetamide.
What is the SMILES notation for 2-tert-butylsulfonyl-N-[4-fluoro-2-(propan-2-ylamino)phenyl]acetamide?
The canonical SMILES for 2-tert-butylsulfonyl-N-[4-fluoro-2-(propan-2-ylamino)phenyl]acetamide is CC(C)Nc1cc(F)ccc1NC(=O)CS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-tert-butylsulfonyl-N-[4-fluoro-2-(propan-2-ylamino)phenyl]acetamide?
The InChIKey is APYCOTQHKHZIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-10(2)17-13-8-11(16)6-7-12(13)18-14(19)9-22(20,21)15(3,4)5/h6-8,10,17H,9H2,1-5H3,(H,18,19).
What are the key properties of 2-tert-butylsulfonyl-N-[4-fluoro-2-(propan-2-ylamino)phenyl]acetamide?
2-tert-butylsulfonyl-N-[4-fluoro-2-(propan-2-ylamino)phenyl]acetamide has a molecular weight of 330.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonyl-N-[4-fluoro-2-(propan-2-ylamino)phenyl]acetamide is sourced from PubChem (CID 86781745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).