2-[[4-(1,2-diphenylethylcarbamoylamino)phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]-N-hydroxypropanamide

C33H36N4O6S — CID 142973965

IUPAC2-[[4-(1,2-diphenylethylcarbamoylamino)phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]-N-hydroxypropanamide
SMILESCOc1ccc(CCN(C(C)C(=O)NO)S(=O)(=O)c2ccc(NC(=O)NC(Cc3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C33H36N4O6S/c1-24(32(38)36-40)37(22-21-25-13-17-29(43-2)18-14-25)44(41,42)30-19-15-28(16-20-30)34-33(39)35-31(27-11-7-4-8-12-27)23-26-9-5-3-6-10-26/h3-20,24,31,40H,21-23H2,1-2H3,(H,36,38)(H2,34,35,39)
InChIKeyHDBNWKWIMZLKDH-UHFFFAOYSA-N
MW616.74 g/mol
LogP4.93
Rot. Bonds13

About 2-[[4-(1,2-diphenylethylcarbamoylamino)phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]-N-hydroxypropanamide

2-[[4-(1,2-diphenylethylcarbamoylamino)phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]-N-hydroxypropanamide (PubChem CID 142973965) has the molecular formula C33H36N4O6S and a molecular weight of 616.74 g/mol. Its IUPAC name is 2-[[4-(1,2-diphenylethylcarbamoylamino)phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[[4-(1,2-diphenylethylcarbamoylamino)phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]-N-hydroxypropanamide
PubChem CID142973965
Molecular FormulaC33H36N4O6S
Molecular Weight616.74 g/mol
Exact Mass616.24
IUPAC Name2-[[4-(1,2-diphenylethylcarbamoylamino)phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]-N-hydroxypropanamide
SMILESCOc1ccc(CCN(C(C)C(=O)NO)S(=O)(=O)c2ccc(NC(=O)NC(Cc3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C33H36N4O6S/c1-24(32(38)36-40)37(22-21-25-13-17-29(43-2)18-14-25)44(41,42)30-19-15-28(16-20-30)34-33(39)35-31(27-11-7-4-8-12-27)23-26-9-5-3-6-10-26/h3-20,24,31,40H,21-23H2,1-2H3,(H,36,38)(H2,34,35,39)
InChIKeyHDBNWKWIMZLKDH-UHFFFAOYSA-N
XLogP4.93
TPSA137.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.74
LogP ≤ 54.93
H-Bond Donors ≤ 54
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

(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 10594938
3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 16772233
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanamide
CID 89137426
tert-butyl N-[4-[benzyl-[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]carbamate
CID 101074327
1-[4-(benzenesulfonamido)phenyl]-3-[2-(4-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethyl]urea
CID 135223126
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-phenylpropanamide
CID 170380842
1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
CID 92685488
1-(4-methoxyphenyl)-3-[2-phenyl-1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)ethyl]urea
CID 171138998
N-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide
CID 71452286
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4,4-dimethylpentanamide
CID 10645799

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,2-diphenylethylcarbamoylamino)phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]-N-hydroxypropanamide?
The IUPAC name of 2-[[4-(1,2-diphenylethylcarbamoylamino)phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]-N-hydroxypropanamide (CID 142973965) is 2-[[4-(1,2-diphenylethylcarbamoylamino)phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[[4-(1,2-diphenylethylcarbamoylamino)phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]-N-hydroxypropanamide?
The canonical SMILES for 2-[[4-(1,2-diphenylethylcarbamoylamino)phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]-N-hydroxypropanamide is COc1ccc(CCN(C(C)C(=O)NO)S(=O)(=O)c2ccc(NC(=O)NC(Cc3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[[4-(1,2-diphenylethylcarbamoylamino)phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]-N-hydroxypropanamide?
The InChIKey is HDBNWKWIMZLKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O6S/c1-24(32(38)36-40)37(22-21-25-13-17-29(43-2)18-14-25)44(41,42)30-19-15-28(16-20-30)34-33(39)35-31(27-11-7-4-8-12-27)23-26-9-5-3-6-10-26/h3-20,24,31,40H,21-23H2,1-2H3,(H,36,38)(H2,34,35,39).
What are the key properties of 2-[[4-(1,2-diphenylethylcarbamoylamino)phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]-N-hydroxypropanamide?
2-[[4-(1,2-diphenylethylcarbamoylamino)phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]-N-hydroxypropanamide has a molecular weight of 616.74 g/mol, XLogP of 4.93, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,2-diphenylethylcarbamoylamino)phenyl]sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]-N-hydroxypropanamide is sourced from PubChem (CID 142973965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).