N-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide

C24H23FN2O2S — CID 22777805

IUPACN-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide
SMILESCc1cccc(C)c1NC(=O)C(C)Sc1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C24H23FN2O2S/c1-15-7-6-8-16(2)22(15)27-23(28)17(3)30-19-13-11-18(12-14-19)26-24(29)20-9-4-5-10-21(20)25/h4-14,17H,1-3H3,(H,26,29)(H,27,28)
InChIKeyDLZDOUPBTZHPNP-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.81
Rot. Bonds6

About N-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide

N-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide (PubChem CID 22777805) has the molecular formula C24H23FN2O2S and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide
PubChem CID22777805
Molecular FormulaC24H23FN2O2S
Molecular Weight422.53 g/mol
Exact Mass422.15
IUPAC NameN-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide
SMILESCc1cccc(C)c1NC(=O)C(C)Sc1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C24H23FN2O2S/c1-15-7-6-8-16(2)22(15)27-23(28)17(3)30-19-13-11-18(12-14-19)26-24(29)20-9-4-5-10-21(20)25/h4-14,17H,1-3H3,(H,26,29)(H,27,28)
InChIKeyDLZDOUPBTZHPNP-UHFFFAOYSA-N
XLogP5.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide
CID 22780531
8-[[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 22786490
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
N-[4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide
CID 23095269
2-[[4-[1-(2-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785215
N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51606045
(2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 978027
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
3-[2-[3-[(2-fluorobenzoyl)amino]phenyl]sulfanylpropanoylamino]-4-methylbenzoic acid
CID 18903876
2-methyl-N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide
CID 19630732
N-[4-[1-(4-butoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-methylbenzamide
CID 23095715
2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982009

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide (CID 22777805) is N-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide is Cc1cccc(C)c1NC(=O)C(C)Sc1ccc(NC(=O)c2ccccc2F)cc1.
What is the InChIKey of N-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide?
The InChIKey is DLZDOUPBTZHPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2S/c1-15-7-6-8-16(2)22(15)27-23(28)17(3)30-19-13-11-18(12-14-19)26-24(29)20-9-4-5-10-21(20)25/h4-14,17H,1-3H3,(H,26,29)(H,27,28).
What are the key properties of N-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide?
N-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide has a molecular weight of 422.53 g/mol, XLogP of 5.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide is sourced from PubChem (CID 22777805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).