2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide

C21H20N2O5S — CID 21130554

IUPAC2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide
SMILESNC(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)(C(=O)NO)c1ccccc1
InChIInChI=1S/C21H20N2O5S/c22-21(20(24)23-25,16-7-3-1-4-8-16)15-29(26,27)19-13-11-18(12-14-19)28-17-9-5-2-6-10-17/h1-14,25H,15,22H2,(H,23,24)
InChIKeyHDTLIPGODNAYEM-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.61
Rot. Bonds7

About 2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide

2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide (PubChem CID 21130554) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide
PubChem CID21130554
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC Name2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide
SMILESNC(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)(C(=O)NO)c1ccccc1
InChIInChI=1S/C21H20N2O5S/c22-21(20(24)23-25,16-7-3-1-4-8-16)15-29(26,27)19-13-11-18(12-14-19)28-17-9-5-2-6-10-17/h1-14,25H,15,22H2,(H,23,24)
InChIKeyHDTLIPGODNAYEM-UHFFFAOYSA-N
XLogP2.61
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.61
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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Related Compounds

N-hydroxy-2-(4-phenoxyphenyl)sulfonylacetamide
CID 11616500
2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride
CID 18406833
N-hydroxy-2-methyl-4-(4-phenoxyphenyl)sulfonylbutanamide
CID 12968522
3-[4-(3,4-dimethylphenoxy)phenyl]sulfonyl-N,2-dihydroxy-2-methylpropanamide
CID 22732218
tert-butyl 2-[[2-[2-methyl-1-(4-phenoxyphenyl)sulfonylpropan-2-yl]oxy-2-oxoethyl]amino]acetate
CID 66916712
(2R)-2-[acetyl(methyl)amino]-N-hydroxy-3-(4-phenoxyphenyl)sulfonylpropanamide
CID 11741226
methyl 2-[(2-chloroacetyl)amino]-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanoate
CID 22893204
2-amino-3-(4-phenoxyphenyl)sulfonylpropane-1-thiol
CID 54495806
(2R)-2-amino-2-(4-phenoxyphenyl)sulfonylpropanamide
CID 154454459
2-[4-[4-(carboxymethylsulfonyl)phenoxy]phenyl]sulfonylacetic acid
CID 656313
2,2-diethyl-N'-(4-phenoxyphenyl)sulfonylpropanediamide
CID 68508410
N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]pyridine-4-carboxamide
CID 59071623

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide?
The IUPAC name of 2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide (CID 21130554) is 2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide is NC(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)(C(=O)NO)c1ccccc1.
What is the InChIKey of 2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide?
The InChIKey is HDTLIPGODNAYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c22-21(20(24)23-25,16-7-3-1-4-8-16)15-29(26,27)19-13-11-18(12-14-19)28-17-9-5-2-6-10-17/h1-14,25H,15,22H2,(H,23,24).
What are the key properties of 2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide?
2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide has a molecular weight of 412.47 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide is sourced from PubChem (CID 21130554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).