(2S)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxyhexanamide

C20H22N2O5S — CID 162645435

IUPAC(2S)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxyhexanamide
SMILESCCCC[C@H](NS(=O)(=O)c1cccc(-c2cc3ccccc3o2)c1)C(=O)NO
InChIInChI=1S/C20H22N2O5S/c1-2-3-10-17(20(23)21-24)22-28(25,26)16-9-6-8-14(12-16)19-13-15-7-4-5-11-18(15)27-19/h4-9,11-13,17,22,24H,2-3,10H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyWQRUQNNUDRVGDT-KRWDZBQOSA-N
MW402.47 g/mol
LogP3.44
Rot. Bonds8

About (2S)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxyhexanamide

(2S)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxyhexanamide (PubChem CID 162645435) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is (2S)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2S)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxyhexanamide
PubChem CID162645435
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name(2S)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxyhexanamide
SMILESCCCC[C@H](NS(=O)(=O)c1cccc(-c2cc3ccccc3o2)c1)C(=O)NO
InChIInChI=1S/C20H22N2O5S/c1-2-3-10-17(20(23)21-24)22-28(25,26)16-9-6-8-14(12-16)19-13-15-7-4-5-11-18(15)27-19/h4-9,11-13,17,22,24H,2-3,10H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyWQRUQNNUDRVGDT-KRWDZBQOSA-N
XLogP3.44
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.44
H-Bond Donors ≤ 53
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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Related Compounds

(2S)-3-methyl-2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene-4-sulfonamido}butanoic acid
CID 25263245
(2R)-3-methyl-2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene-4-sulfonamido}butanoic acid
CID 25263244
2-methyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1-benzofuran-5-sulfonamide
CID 57399481
1-(Dibenzofuran-3-sulfonylamino)-cyclohexanecarboxylic acid hydroxyamide
CID 9908323
N-(dibenzo[b,d]furan-2-ylsulfonyl)-4-fluorophenylalanine
CID 5296329
N~2~,N~8~-DI(Tert-butyl)dibenzo[B,D]furan-2,8-disulfonamide
CID 3155998
(2R,3R)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide
CID 162644155
(2S,3S)-2-[[3-(furan-3-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide
CID 162651204
1-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxycyclopropane-1-carboxamide
CID 162656965
(2R)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxy-4-methylpentanamide
CID 162657780
(2S,3S)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide
CID 162664858
(2S,3S)-2-[[3-(furan-2-yl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide
CID 162674317

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxyhexanamide?
The IUPAC name of (2S)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxyhexanamide (CID 162645435) is (2S)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxyhexanamide.
What is the SMILES notation for (2S)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxyhexanamide?
The canonical SMILES for (2S)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxyhexanamide is CCCC[C@H](NS(=O)(=O)c1cccc(-c2cc3ccccc3o2)c1)C(=O)NO.
What is the InChIKey of (2S)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxyhexanamide?
The InChIKey is WQRUQNNUDRVGDT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-2-3-10-17(20(23)21-24)22-28(25,26)16-9-6-8-14(12-16)19-13-15-7-4-5-11-18(15)27-19/h4-9,11-13,17,22,24H,2-3,10H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxyhexanamide?
(2S)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxyhexanamide has a molecular weight of 402.47 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxyhexanamide is sourced from PubChem (CID 162645435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).