N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-fluoro-3-sulfanylbenzamide

C11H13FN2O2S — CID 107027425

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-4-fluoro-3-sulfanylbenzamide
SMILESCC(C)(NC(=O)c1ccc(F)c(S)c1)C(N)=O
InChIInChI=1S/C11H13FN2O2S/c1-11(2,10(13)16)14-9(15)6-3-4-7(12)8(17)5-6/h3-5,17H,1-2H3,(H2,13,16)(H,14,15)
InChIKeyRIIQJLSRLCAXLE-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.11
Rot. Bonds3

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-fluoro-3-sulfanylbenzamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-fluoro-3-sulfanylbenzamide (PubChem CID 107027425) has the molecular formula C11H13FN2O2S and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-fluoro-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-4-fluoro-3-sulfanylbenzamide
PubChem CID107027425
Molecular FormulaC11H13FN2O2S
Molecular Weight256.30 g/mol
Exact Mass256.07
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-4-fluoro-3-sulfanylbenzamide
SMILESCC(C)(NC(=O)c1ccc(F)c(S)c1)C(N)=O
InChIInChI=1S/C11H13FN2O2S/c1-11(2,10(13)16)14-9(15)6-3-4-7(12)8(17)5-6/h3-5,17H,1-2H3,(H2,13,16)(H,14,15)
InChIKeyRIIQJLSRLCAXLE-UHFFFAOYSA-N
XLogP1.11
TPSA72.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-fluoro-3-sulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide
CID 55137937
4-fluoro-N-propyl-3-sulfanylbenzamide
CID 107019371
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methoxybenzamide
CID 61212548
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-fluoro-3-methoxybenzamide
CID 81284104
2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 63188710
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pyridine-4-carboxamide
CID 62184832
N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide
CID 103908225
[5-(tert-butylcarbamoyl)-2-fluorophenyl]boronic acid
CID 44717479
4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide
CID 107020016
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chloropyridine-4-carboxamide
CID 61217075
4-fluoro-N-(1-hydroxypropan-2-yl)-3-sulfanylbenzamide
CID 107029570
4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide
CID 107029487

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-fluoro-3-sulfanylbenzamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-fluoro-3-sulfanylbenzamide (CID 107027425) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-fluoro-3-sulfanylbenzamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-fluoro-3-sulfanylbenzamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-fluoro-3-sulfanylbenzamide is CC(C)(NC(=O)c1ccc(F)c(S)c1)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-fluoro-3-sulfanylbenzamide?
The InChIKey is RIIQJLSRLCAXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2S/c1-11(2,10(13)16)14-9(15)6-3-4-7(12)8(17)5-6/h3-5,17H,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-fluoro-3-sulfanylbenzamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-fluoro-3-sulfanylbenzamide has a molecular weight of 256.30 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-fluoro-3-sulfanylbenzamide is sourced from PubChem (CID 107027425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).