2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide

C14H21FN2OS — CID 43303746

IUPAC2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Sc1ccc(N)cc1F
InChIInChI=1S/C14H21FN2OS/c1-9(2)6-7-17-14(18)10(3)19-13-5-4-11(16)8-12(13)15/h4-5,8-10H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyMNVLAKFKCWEMOK-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.05
Rot. Bonds6

About 2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide

2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide (PubChem CID 43303746) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide
PubChem CID43303746
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC Name2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Sc1ccc(N)cc1F
InChIInChI=1S/C14H21FN2OS/c1-9(2)6-7-17-14(18)10(3)19-13-5-4-11(16)8-12(13)15/h4-5,8-10H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyMNVLAKFKCWEMOK-UHFFFAOYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-3-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 79140731
2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 43303759
2-(3-aminophenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 79133388
2-(4-amino-2-fluorophenyl)sulfanylpropanamide
CID 43303751
4-fluoro-3-[1-(3-methylbutylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid
CID 80554840
2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide
CID 43303210
2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-(3-methylbutyl)propanamide
CID 61359466
4-(4-amino-2-fluorophenyl)sulfanylpentanehydrazide
CID 63582597
2-(5-amino-2-methylphenyl)sulfanyl-N-propylpropanamide
CID 79141692
N-(4-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345467
N-(3-methylbutyl)-2-phenylsulfanylpropanamide
CID 4791698
3-fluoro-4-(3-methylbutylsulfanyl)aniline
CID 43303733

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide (CID 43303746) is 2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)Sc1ccc(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide?
The InChIKey is MNVLAKFKCWEMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2OS/c1-9(2)6-7-17-14(18)10(3)19-13-5-4-11(16)8-12(13)15/h4-5,8-10H,6-7,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide?
2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide has a molecular weight of 284.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 43303746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).