N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide

C13H20FN3O3S — CID 60852910

IUPACN-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C13H20FN3O3S/c1-9(2)15-7-6-13(18)16-10-4-5-11(14)12(8-10)17-21(3,19)20/h4-5,8-9,15,17H,6-7H2,1-3H3,(H,16,18)
InChIKeyVMBABKASCPSSGM-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.52
Rot. Bonds7

About N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide

N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide (PubChem CID 60852910) has the molecular formula C13H20FN3O3S and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide
PubChem CID60852910
Molecular FormulaC13H20FN3O3S
Molecular Weight317.39 g/mol
Exact Mass317.12
IUPAC NameN-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C13H20FN3O3S/c1-9(2)15-7-6-13(18)16-10-4-5-11(14)12(8-10)17-21(3,19)20/h4-5,8-9,15,17H,6-7H2,1-3H3,(H,16,18)
InChIKeyVMBABKASCPSSGM-UHFFFAOYSA-N
XLogP1.52
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide
CID 79201442
5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid
CID 60941392
3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
CID 43050377
N-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide
CID 64782585
N-(3-cyano-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 55057780
(2S)-2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-methylpentanamide;hydrochloride
CID 119702982
4-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylbutanamide
CID 80542664
2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-methylbutanamide
CID 43712924
2-(4-chlorophenyl)sulfonyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 24677242
N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 115733830
2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 62732998
N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide
CID 54862201

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide (CID 60852910) is N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is VMBABKASCPSSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O3S/c1-9(2)15-7-6-13(18)16-10-4-5-11(14)12(8-10)17-21(3,19)20/h4-5,8-9,15,17H,6-7H2,1-3H3,(H,16,18).
What are the key properties of N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide?
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 317.39 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60852910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).