(2R)-6-amino-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]hexanamide

C13H21N3O5S — CID 20646766

IUPAC(2R)-6-amino-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]hexanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](CCCCN)C(=O)NO)cc1
InChIInChI=1S/C13H21N3O5S/c1-21-10-5-7-11(8-6-10)22(19,20)16-12(13(17)15-18)4-2-3-9-14/h5-8,12,16,18H,2-4,9,14H2,1H3,(H,15,17)/t12-/m1/s1
InChIKeyHEZJBOXMMJRPNB-GFCCVEGCSA-N
MW331.39 g/mol
LogP-0.02
Rot. Bonds9

About (2R)-6-amino-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]hexanamide

(2R)-6-amino-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]hexanamide (PubChem CID 20646766) has the molecular formula C13H21N3O5S and a molecular weight of 331.39 g/mol. Its IUPAC name is (2R)-6-amino-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]hexanamide.

Molecular Properties

Compound Name(2R)-6-amino-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]hexanamide
PubChem CID20646766
Molecular FormulaC13H21N3O5S
Molecular Weight331.39 g/mol
Exact Mass331.12
IUPAC Name(2R)-6-amino-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]hexanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](CCCCN)C(=O)NO)cc1
InChIInChI=1S/C13H21N3O5S/c1-21-10-5-7-11(8-6-10)22(19,20)16-12(13(17)15-18)4-2-3-9-14/h5-8,12,16,18H,2-4,9,14H2,1H3,(H,15,17)/t12-/m1/s1
InChIKeyHEZJBOXMMJRPNB-GFCCVEGCSA-N
XLogP-0.02
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-6-amino-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 57153558
methyl 2-[(4-methoxyphenyl)sulfonylamino]-5-sulfanylpentanoate
CID 57142661
N-[5-[(4-but-2-ynoxyphenyl)sulfonylamino]-6-(hydroxyamino)-6-oxohexyl]-4-methoxybenzamide
CID 22644906
naphthalen-2-yl (2S)-6-amino-2-[(4-methylphenyl)sulfonylamino]hexanoate
CID 3036622
4-(2,4-dioxo-1H-pyrimidin-3-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide
CID 18753506
(2S)-6-amino-2-[(3,4-dimethoxyphenyl)sulfonylamino]hexanoic acid
CID 69227886
(2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide
CID 50907085
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
N-(7-amino-1-chloro-2-oxoheptan-3-yl)-4-methylbenzenesulfonamide
CID 4427
methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 5010476
N-(8-amino-1-chloro-2,3-dioxooctan-4-yl)-4-methylbenzenesulfonamide
CID 11164300
(2S)-6-amino-2-[(4-butan-2-ylphenyl)sulfonylamino]hexanoic acid
CID 126806676

Frequently Asked Questions

What is the IUPAC name of (2R)-6-amino-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]hexanamide?
The IUPAC name of (2R)-6-amino-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]hexanamide (CID 20646766) is (2R)-6-amino-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]hexanamide.
What is the SMILES notation for (2R)-6-amino-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]hexanamide?
The canonical SMILES for (2R)-6-amino-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]hexanamide is COc1ccc(S(=O)(=O)N[C@H](CCCCN)C(=O)NO)cc1.
What is the InChIKey of (2R)-6-amino-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]hexanamide?
The InChIKey is HEZJBOXMMJRPNB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N3O5S/c1-21-10-5-7-11(8-6-10)22(19,20)16-12(13(17)15-18)4-2-3-9-14/h5-8,12,16,18H,2-4,9,14H2,1H3,(H,15,17)/t12-/m1/s1.
What are the key properties of (2R)-6-amino-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]hexanamide?
(2R)-6-amino-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]hexanamide has a molecular weight of 331.39 g/mol, XLogP of -0.02, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-amino-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]hexanamide is sourced from PubChem (CID 20646766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).