N-[(4-chlorophenyl)methyl]-3-hydroxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide

C19H23ClN2O4S — CID 112771116

IUPACN-[(4-chlorophenyl)methyl]-3-hydroxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)NC(C(=O)N(C)Cc2ccc(Cl)cc2)C(C)O)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-13-4-10-17(11-5-13)27(25,26)21-18(14(2)23)19(24)22(3)12-15-6-8-16(20)9-7-15/h4-11,14,18,21,23H,12H2,1-3H3
InChIKeyNYFVWLIGJCAYTK-UHFFFAOYSA-N
MW410.92 g/mol
LogP2.33
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-3-hydroxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide

N-[(4-chlorophenyl)methyl]-3-hydroxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide (PubChem CID 112771116) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-hydroxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-hydroxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
PubChem CID112771116
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC NameN-[(4-chlorophenyl)methyl]-3-hydroxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)NC(C(=O)N(C)Cc2ccc(Cl)cc2)C(C)O)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-13-4-10-17(11-5-13)27(25,26)21-18(14(2)23)19(24)22(3)12-15-6-8-16(20)9-7-15/h4-11,14,18,21,23H,12H2,1-3H3
InChIKeyNYFVWLIGJCAYTK-UHFFFAOYSA-N
XLogP2.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55347038
[2-(dimethylamino)-2-oxoethyl] (2R,3S)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 7169342
N-[1-(3,4-difluorophenyl)ethyl]-3-hydroxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 112808845
(2S,3R)-2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]-3-hydroxybutanoic acid
CID 104965970
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130
(4-bromophenyl)methyl (2R,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 2377156
(2R)-3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 7082008
(4-chlorophenyl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 7567916
(2S)-2-[[4-[4-[2-(4-chlorophenyl)-2-oxoethyl]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 59150919
(2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6541721
2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 18114298
(2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55943594

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-hydroxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-hydroxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide (CID 112771116) is N-[(4-chlorophenyl)methyl]-3-hydroxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-hydroxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-hydroxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide is Cc1ccc(S(=O)(=O)NC(C(=O)N(C)Cc2ccc(Cl)cc2)C(C)O)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-hydroxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide?
The InChIKey is NYFVWLIGJCAYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-13-4-10-17(11-5-13)27(25,26)21-18(14(2)23)19(24)22(3)12-15-6-8-16(20)9-7-15/h4-11,14,18,21,23H,12H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-hydroxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide?
N-[(4-chlorophenyl)methyl]-3-hydroxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide has a molecular weight of 410.92 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-hydroxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 112771116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).