(2S)-2-[[(2S)-4-[(2,4-dichlorophenyl)sulfonylamino]-2-hydroxybutyl]amino]-4-methylpentanamide

C16H25Cl2N3O4S — CID 68926641

IUPAC(2S)-2-[[(2S)-4-[(2,4-dichlorophenyl)sulfonylamino]-2-hydroxybutyl]amino]-4-methylpentanamide
SMILESCC(C)C[C@H](NC[C@@H](O)CCNS(=O)(=O)c1ccc(Cl)cc1Cl)C(N)=O
InChIInChI=1S/C16H25Cl2N3O4S/c1-10(2)7-14(16(19)23)20-9-12(22)5-6-21-26(24,25)15-4-3-11(17)8-13(15)18/h3-4,8,10,12,14,20-22H,5-7,9H2,1-2H3,(H2,19,23)/t12-,14-/m0/s1
InChIKeyJARWOYHFXXPJIJ-JSGCOSHPSA-N
MW426.37 g/mol
LogP1.51
Rot. Bonds11

About (2S)-2-[[(2S)-4-[(2,4-dichlorophenyl)sulfonylamino]-2-hydroxybutyl]amino]-4-methylpentanamide

(2S)-2-[[(2S)-4-[(2,4-dichlorophenyl)sulfonylamino]-2-hydroxybutyl]amino]-4-methylpentanamide (PubChem CID 68926641) has the molecular formula C16H25Cl2N3O4S and a molecular weight of 426.37 g/mol. Its IUPAC name is (2S)-2-[[(2S)-4-[(2,4-dichlorophenyl)sulfonylamino]-2-hydroxybutyl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-4-[(2,4-dichlorophenyl)sulfonylamino]-2-hydroxybutyl]amino]-4-methylpentanamide
PubChem CID68926641
Molecular FormulaC16H25Cl2N3O4S
Molecular Weight426.37 g/mol
Exact Mass425.09
IUPAC Name(2S)-2-[[(2S)-4-[(2,4-dichlorophenyl)sulfonylamino]-2-hydroxybutyl]amino]-4-methylpentanamide
SMILESCC(C)C[C@H](NC[C@@H](O)CCNS(=O)(=O)c1ccc(Cl)cc1Cl)C(N)=O
InChIInChI=1S/C16H25Cl2N3O4S/c1-10(2)7-14(16(19)23)20-9-12(22)5-6-21-26(24,25)15-4-3-11(17)8-13(15)18/h3-4,8,10,12,14,20-22H,5-7,9H2,1-2H3,(H2,19,23)/t12-,14-/m0/s1
InChIKeyJARWOYHFXXPJIJ-JSGCOSHPSA-N
XLogP1.51
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-4-[(2,4-dichlorophenyl)sulfonylamino]-2-hydroxybutyl]amino]-4-methylpentanamide?
The IUPAC name of (2S)-2-[[(2S)-4-[(2,4-dichlorophenyl)sulfonylamino]-2-hydroxybutyl]amino]-4-methylpentanamide (CID 68926641) is (2S)-2-[[(2S)-4-[(2,4-dichlorophenyl)sulfonylamino]-2-hydroxybutyl]amino]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[[(2S)-4-[(2,4-dichlorophenyl)sulfonylamino]-2-hydroxybutyl]amino]-4-methylpentanamide?
The canonical SMILES for (2S)-2-[[(2S)-4-[(2,4-dichlorophenyl)sulfonylamino]-2-hydroxybutyl]amino]-4-methylpentanamide is CC(C)C[C@H](NC[C@@H](O)CCNS(=O)(=O)c1ccc(Cl)cc1Cl)C(N)=O.
What is the InChIKey of (2S)-2-[[(2S)-4-[(2,4-dichlorophenyl)sulfonylamino]-2-hydroxybutyl]amino]-4-methylpentanamide?
The InChIKey is JARWOYHFXXPJIJ-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H25Cl2N3O4S/c1-10(2)7-14(16(19)23)20-9-12(22)5-6-21-26(24,25)15-4-3-11(17)8-13(15)18/h3-4,8,10,12,14,20-22H,5-7,9H2,1-2H3,(H2,19,23)/t12-,14-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-4-[(2,4-dichlorophenyl)sulfonylamino]-2-hydroxybutyl]amino]-4-methylpentanamide?
(2S)-2-[[(2S)-4-[(2,4-dichlorophenyl)sulfonylamino]-2-hydroxybutyl]amino]-4-methylpentanamide has a molecular weight of 426.37 g/mol, XLogP of 1.51, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-4-[(2,4-dichlorophenyl)sulfonylamino]-2-hydroxybutyl]amino]-4-methylpentanamide is sourced from PubChem (CID 68926641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).