2-(ethylsulfonylamino)-N-[1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]-3-methylbutanamide

C14H26FN3O5S — CID 89301025

IUPAC2-(ethylsulfonylamino)-N-[1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]-3-methylbutanamide
SMILESCCS(=O)(=O)NC(C(=O)NC(C)C(=O)NC(C)C(=O)CF)C(C)C
InChIInChI=1S/C14H26FN3O5S/c1-6-24(22,23)18-12(8(2)3)14(21)17-10(5)13(20)16-9(4)11(19)7-15/h8-10,12,18H,6-7H2,1-5H3,(H,16,20)(H,17,21)
InChIKeyBKTBEVHGYQPTFA-UHFFFAOYSA-N
MW367.44 g/mol
LogP-0.50
Rot. Bonds10

About 2-(ethylsulfonylamino)-N-[1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]-3-methylbutanamide

2-(ethylsulfonylamino)-N-[1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]-3-methylbutanamide (PubChem CID 89301025) has the molecular formula C14H26FN3O5S and a molecular weight of 367.44 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-N-[1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-N-[1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]-3-methylbutanamide
PubChem CID89301025
Molecular FormulaC14H26FN3O5S
Molecular Weight367.44 g/mol
Exact Mass367.16
IUPAC Name2-(ethylsulfonylamino)-N-[1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]-3-methylbutanamide
SMILESCCS(=O)(=O)NC(C(=O)NC(C)C(=O)NC(C)C(=O)CF)C(C)C
InChIInChI=1S/C14H26FN3O5S/c1-6-24(22,23)18-12(8(2)3)14(21)17-10(5)13(20)16-9(4)11(19)7-15/h8-10,12,18H,6-7H2,1-5H3,(H,16,20)(H,17,21)
InChIKeyBKTBEVHGYQPTFA-UHFFFAOYSA-N
XLogP-0.50
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-N-[1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]-3-methylbutanamide?
The IUPAC name of 2-(ethylsulfonylamino)-N-[1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]-3-methylbutanamide (CID 89301025) is 2-(ethylsulfonylamino)-N-[1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]-3-methylbutanamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-N-[1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]-3-methylbutanamide?
The canonical SMILES for 2-(ethylsulfonylamino)-N-[1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]-3-methylbutanamide is CCS(=O)(=O)NC(C(=O)NC(C)C(=O)NC(C)C(=O)CF)C(C)C.
What is the InChIKey of 2-(ethylsulfonylamino)-N-[1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]-3-methylbutanamide?
The InChIKey is BKTBEVHGYQPTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FN3O5S/c1-6-24(22,23)18-12(8(2)3)14(21)17-10(5)13(20)16-9(4)11(19)7-15/h8-10,12,18H,6-7H2,1-5H3,(H,16,20)(H,17,21).
What are the key properties of 2-(ethylsulfonylamino)-N-[1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]-3-methylbutanamide?
2-(ethylsulfonylamino)-N-[1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]-3-methylbutanamide has a molecular weight of 367.44 g/mol, XLogP of -0.50, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-N-[1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 89301025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).