3-[(4-acetamidophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]-N-hydroxypropanamide

C17H21N3O5S2 — CID 23553791

IUPAC3-[(4-acetamidophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]-N-hydroxypropanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CCC(=O)NO)CCc2cccs2)cc1
InChIInChI=1S/C17H21N3O5S2/c1-13(21)18-14-4-6-16(7-5-14)27(24,25)20(11-9-17(22)19-23)10-8-15-3-2-12-26-15/h2-7,12,23H,8-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyCRHMKRVFOVPBJM-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.84
Rot. Bonds9

About 3-[(4-acetamidophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]-N-hydroxypropanamide

3-[(4-acetamidophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]-N-hydroxypropanamide (PubChem CID 23553791) has the molecular formula C17H21N3O5S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-[(4-acetamidophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[(4-acetamidophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]-N-hydroxypropanamide
PubChem CID23553791
Molecular FormulaC17H21N3O5S2
Molecular Weight411.51 g/mol
Exact Mass411.09
IUPAC Name3-[(4-acetamidophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]-N-hydroxypropanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CCC(=O)NO)CCc2cccs2)cc1
InChIInChI=1S/C17H21N3O5S2/c1-13(21)18-14-4-6-16(7-5-14)27(24,25)20(11-9-17(22)19-23)10-8-15-3-2-12-26-15/h2-7,12,23H,8-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyCRHMKRVFOVPBJM-UHFFFAOYSA-N
XLogP1.84
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.84
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-[4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 30171646
N-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 2578354
methyl N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]phenyl]carbamate
CID 72717975
3-[[4-(diphenylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide
CID 59105586
N-hydroxy-3-[2-(4-methylphenyl)ethyl-[4-(2-phenylethylcarbamoylamino)phenyl]sulfonylamino]propanamide
CID 59105584
3-[[4-(benzylcarbamoylamino)phenyl]sulfonyl-[2-(4-methylphenyl)ethyl]amino]-N-hydroxypropanamide
CID 59105595
2-[(4-acetamidophenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
CID 142683353
2-[(4-chlorophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid
CID 59053390
N-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide
CID 71452286
N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide
CID 63397159
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 55568469
2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 4172996

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]-N-hydroxypropanamide?
The IUPAC name of 3-[(4-acetamidophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]-N-hydroxypropanamide (CID 23553791) is 3-[(4-acetamidophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]-N-hydroxypropanamide.
What is the SMILES notation for 3-[(4-acetamidophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]-N-hydroxypropanamide?
The canonical SMILES for 3-[(4-acetamidophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]-N-hydroxypropanamide is CC(=O)Nc1ccc(S(=O)(=O)N(CCC(=O)NO)CCc2cccs2)cc1.
What is the InChIKey of 3-[(4-acetamidophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]-N-hydroxypropanamide?
The InChIKey is CRHMKRVFOVPBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S2/c1-13(21)18-14-4-6-16(7-5-14)27(24,25)20(11-9-17(22)19-23)10-8-15-3-2-12-26-15/h2-7,12,23H,8-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 3-[(4-acetamidophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]-N-hydroxypropanamide?
3-[(4-acetamidophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]-N-hydroxypropanamide has a molecular weight of 411.51 g/mol, XLogP of 1.84, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]-N-hydroxypropanamide is sourced from PubChem (CID 23553791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).