(2S)-2-amino-N,3-dihydroxy-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide

C14H22N2O5S — CID 87747841

IUPAC(2S)-2-amino-N,3-dihydroxy-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)N(O)C(=O)[C@@H](N)CO)cc1
InChIInChI=1S/C14H22N2O5S/c1-4-14(2,3)10-5-7-11(8-6-10)22(20,21)16(19)13(18)12(15)9-17/h5-8,12,17,19H,4,9,15H2,1-3H3/t12-/m0/s1
InChIKeyFPDRAQPSXZGBGS-LBPRGKRZSA-N
MW330.41 g/mol
LogP0.60
Rot. Bonds6

About (2S)-2-amino-N,3-dihydroxy-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide

(2S)-2-amino-N,3-dihydroxy-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide (PubChem CID 87747841) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is (2S)-2-amino-N,3-dihydroxy-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,3-dihydroxy-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide
PubChem CID87747841
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name(2S)-2-amino-N,3-dihydroxy-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)N(O)C(=O)[C@@H](N)CO)cc1
InChIInChI=1S/C14H22N2O5S/c1-4-14(2,3)10-5-7-11(8-6-10)22(20,21)16(19)13(18)12(15)9-17/h5-8,12,17,19H,4,9,15H2,1-3H3/t12-/m0/s1
InChIKeyFPDRAQPSXZGBGS-LBPRGKRZSA-N
XLogP0.60
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,3-dihydroxy-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide?
The IUPAC name of (2S)-2-amino-N,3-dihydroxy-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide (CID 87747841) is (2S)-2-amino-N,3-dihydroxy-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide.
What is the SMILES notation for (2S)-2-amino-N,3-dihydroxy-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide?
The canonical SMILES for (2S)-2-amino-N,3-dihydroxy-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide is CCC(C)(C)c1ccc(S(=O)(=O)N(O)C(=O)[C@@H](N)CO)cc1.
What is the InChIKey of (2S)-2-amino-N,3-dihydroxy-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide?
The InChIKey is FPDRAQPSXZGBGS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-4-14(2,3)10-5-7-11(8-6-10)22(20,21)16(19)13(18)12(15)9-17/h5-8,12,17,19H,4,9,15H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N,3-dihydroxy-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide?
(2S)-2-amino-N,3-dihydroxy-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide has a molecular weight of 330.41 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,3-dihydroxy-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 87747841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).