N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide

C19H21FN2O4S — CID 9270486

IUPACN-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
SMILESCS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4S/c1-27(25,26)12-11-17(22-18(23)15-5-3-2-4-6-15)19(24)21-13-14-7-9-16(20)10-8-14/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,23)/t17-/m1/s1
InChIKeyHSCXFCPWKFHIAG-QGZVFWFLSA-N
MW392.45 g/mol
LogP1.68
Rot. Bonds8

About N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide

N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide (PubChem CID 9270486) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
PubChem CID9270486
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
SMILESCS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4S/c1-27(25,26)12-11-17(22-18(23)15-5-3-2-4-6-15)19(24)21-13-14-7-9-16(20)10-8-14/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,23)/t17-/m1/s1
InChIKeyHSCXFCPWKFHIAG-QGZVFWFLSA-N
XLogP1.68
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-fluorophenyl)methylamino]-6-hydroxy-1-oxohexan-2-yl]benzamide
CID 123995767
N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
CID 9036147
3-benzoyl-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 6723602
4-chloro-N-[4-methylsulfonyl-1-(naphthalen-1-ylmethylamino)-1-oxobutan-2-yl]benzamide
CID 112817006
N-[(2R)-1-(cyclopentylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
CID 9209241
N-[(2R)-1-[2-(4-methylbenzoyl)hydrazinyl]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
CID 9366485
N-[1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 51143908
(2S)-2-(benzenesulfonamido)-N-benzyl-4-methylsulfonylbutanamide
CID 9041162
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478806
N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide
CID 51195280
2-[[2-(4-fluorophenyl)acetyl]amino]-4-methylsulfonylbutanoic acid
CID 43100976

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide (CID 9270486) is N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide is CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide?
The InChIKey is HSCXFCPWKFHIAG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-27(25,26)12-11-17(22-18(23)15-5-3-2-4-6-15)19(24)21-13-14-7-9-16(20)10-8-14/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,23)/t17-/m1/s1.
What are the key properties of N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide?
N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide has a molecular weight of 392.45 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 9270486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).