4-[(3-fluoro-4-methylsulfinylphenyl)carbamoylamino]-5-phenylpentanoic acid

C19H21FN2O4S — CID 122085643

IUPAC4-[(3-fluoro-4-methylsulfinylphenyl)carbamoylamino]-5-phenylpentanoic acid
SMILESCS(=O)c1ccc(NC(=O)NC(CCC(=O)O)Cc2ccccc2)cc1F
InChIInChI=1S/C19H21FN2O4S/c1-27(26)17-9-7-15(12-16(17)20)22-19(25)21-14(8-10-18(23)24)11-13-5-3-2-4-6-13/h2-7,9,12,14H,8,10-11H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyMBJQRACQLSTSNU-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.16
Rot. Bonds8

About 4-[(3-fluoro-4-methylsulfinylphenyl)carbamoylamino]-5-phenylpentanoic acid

4-[(3-fluoro-4-methylsulfinylphenyl)carbamoylamino]-5-phenylpentanoic acid (PubChem CID 122085643) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methylsulfinylphenyl)carbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(3-fluoro-4-methylsulfinylphenyl)carbamoylamino]-5-phenylpentanoic acid
PubChem CID122085643
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name4-[(3-fluoro-4-methylsulfinylphenyl)carbamoylamino]-5-phenylpentanoic acid
SMILESCS(=O)c1ccc(NC(=O)NC(CCC(=O)O)Cc2ccccc2)cc1F
InChIInChI=1S/C19H21FN2O4S/c1-27(26)17-9-7-15(12-16(17)20)22-19(25)21-14(8-10-18(23)24)11-13-5-3-2-4-6-13/h2-7,9,12,14H,8,10-11H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyMBJQRACQLSTSNU-UHFFFAOYSA-N
XLogP3.16
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(3-fluoro-4-methylsulfinylphenyl)carbamoylamino]-5-phenylpentanoic acid 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

4-[(4-acetyl-3-methylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122088165
4-[[3-(2-methylpropanoylamino)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122075451
4-[[3-(1,1-difluoroethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122090873
5-phenyl-4-[[3-(2,2,2-trifluoroethyl)phenyl]carbamoylamino]pentanoic acid
CID 122085886
4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122092058
4-[(3-methyl-4-nitrophenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122088999
4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122077963
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
N-(3-fluoro-4-methylsulfinylphenyl)propanamide
CID 154749149
methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate
CID 69428404
4-[(2-methyl-5-methylsulfanylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122088884
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methylsulfinylphenyl)carbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(3-fluoro-4-methylsulfinylphenyl)carbamoylamino]-5-phenylpentanoic acid (CID 122085643) is 4-[(3-fluoro-4-methylsulfinylphenyl)carbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(3-fluoro-4-methylsulfinylphenyl)carbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(3-fluoro-4-methylsulfinylphenyl)carbamoylamino]-5-phenylpentanoic acid is CS(=O)c1ccc(NC(=O)NC(CCC(=O)O)Cc2ccccc2)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methylsulfinylphenyl)carbamoylamino]-5-phenylpentanoic acid?
The InChIKey is MBJQRACQLSTSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-27(26)17-9-7-15(12-16(17)20)22-19(25)21-14(8-10-18(23)24)11-13-5-3-2-4-6-13/h2-7,9,12,14H,8,10-11H2,1H3,(H,23,24)(H2,21,22,25).
What are the key properties of 4-[(3-fluoro-4-methylsulfinylphenyl)carbamoylamino]-5-phenylpentanoic acid?
4-[(3-fluoro-4-methylsulfinylphenyl)carbamoylamino]-5-phenylpentanoic acid has a molecular weight of 392.45 g/mol, XLogP of 3.16, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methylsulfinylphenyl)carbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122085643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).