N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]propanamide

C18H22N2O5S — CID 18678912

IUPACN-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]propanamide
SMILESCOc1ccc(S(=O)(=O)N(CCC(=O)NO)CCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O5S/c1-25-16-7-9-17(10-8-16)26(23,24)20(14-12-18(21)19-22)13-11-15-5-3-2-4-6-15/h2-10,22H,11-14H2,1H3,(H,19,21)
InChIKeyRBMVHEUSIGQYTK-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.82
Rot. Bonds9

About N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]propanamide

N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]propanamide (PubChem CID 18678912) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]propanamide
PubChem CID18678912
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]propanamide
SMILESCOc1ccc(S(=O)(=O)N(CCC(=O)NO)CCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O5S/c1-25-16-7-9-17(10-8-16)26(23,24)20(14-12-18(21)19-22)13-11-15-5-3-2-4-6-15/h2-10,22H,11-14H2,1H3,(H,19,21)
InChIKeyRBMVHEUSIGQYTK-UHFFFAOYSA-N
XLogP1.82
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]propanamide?
The IUPAC name of N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]propanamide (CID 18678912) is N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]propanamide.
What is the SMILES notation for N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]propanamide?
The canonical SMILES for N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]propanamide is COc1ccc(S(=O)(=O)N(CCC(=O)NO)CCc2ccccc2)cc1.
What is the InChIKey of N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]propanamide?
The InChIKey is RBMVHEUSIGQYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-25-16-7-9-17(10-8-16)26(23,24)20(14-12-18(21)19-22)13-11-15-5-3-2-4-6-15/h2-10,22H,11-14H2,1H3,(H,19,21).
What are the key properties of N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]propanamide?
N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]propanamide has a molecular weight of 378.45 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]propanamide is sourced from PubChem (CID 18678912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).