N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide

C16H25FN2OS — CID 119606341

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
SMILESCC(CSc1ccc(F)cc1)C(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C16H25FN2OS/c1-11(2)16(4,10-18)19-15(20)12(3)9-21-14-7-5-13(17)6-8-14/h5-8,11-12H,9-10,18H2,1-4H3,(H,19,20)
InChIKeyOQIQNHZOFNUPCG-UHFFFAOYSA-N
MW312.45 g/mol
LogP3.04
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide (PubChem CID 119606341) has the molecular formula C16H25FN2OS and a molecular weight of 312.45 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
PubChem CID119606341
Molecular FormulaC16H25FN2OS
Molecular Weight312.45 g/mol
Exact Mass312.17
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
SMILESCC(CSc1ccc(F)cc1)C(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C16H25FN2OS/c1-11(2)16(4,10-18)19-15(20)12(3)9-21-14-7-5-13(17)6-8-14/h5-8,11-12H,9-10,18H2,1-4H3,(H,19,20)
InChIKeyOQIQNHZOFNUPCG-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(4-fluorophenyl)sulfanyl-2-methylpropanoyl]amino]propanoic acid
CID 119349017
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119605825
N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
CID 119505771
N-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
CID 119527961
methyl (2R)-3-(4-fluorophenyl)sulfanyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoate
CID 146165372
3-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 144981955
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 119608826
cis-(1R,3S)-3-[[3-(4-fluorophenyl)sulfanyl-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120678506
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-bromophenyl)sulfanylpropanamide;hydrochloride
CID 119609120
1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropan-1-one
CID 68860204
2-(4-acetamidophenyl)sulfanyl-N-(1-amino-2,3-dimethylbutan-2-yl)propanamide;hydrochloride
CID 119607464
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 119607400

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide (CID 119606341) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide is CC(CSc1ccc(F)cc1)C(=O)NC(C)(CN)C(C)C.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide?
The InChIKey is OQIQNHZOFNUPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2OS/c1-11(2)16(4,10-18)19-15(20)12(3)9-21-14-7-5-13(17)6-8-14/h5-8,11-12H,9-10,18H2,1-4H3,(H,19,20).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide has a molecular weight of 312.45 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide is sourced from PubChem (CID 119606341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).