(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-thiophen-3-ylethyl)amino]-3-methylbutanamide

C18H24N2O5S2 — CID 6539656

IUPAC(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-thiophen-3-ylethyl)amino]-3-methylbutanamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccsc2)[C@@H](C(=O)NO)C(C)C)cc1
InChIInChI=1S/C18H24N2O5S2/c1-13(2)17(18(21)19-22)20(10-8-14-9-11-26-12-14)27(23,24)16-6-4-15(25-3)5-7-16/h4-7,9,11-13,17,22H,8,10H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyJRAGTXWAVPVMJV-QGZVFWFLSA-N
MW412.53 g/mol
LogP2.52
Rot. Bonds9

About (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-thiophen-3-ylethyl)amino]-3-methylbutanamide

(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-thiophen-3-ylethyl)amino]-3-methylbutanamide (PubChem CID 6539656) has the molecular formula C18H24N2O5S2 and a molecular weight of 412.53 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-thiophen-3-ylethyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-thiophen-3-ylethyl)amino]-3-methylbutanamide
PubChem CID6539656
Molecular FormulaC18H24N2O5S2
Molecular Weight412.53 g/mol
Exact Mass412.11
IUPAC Name(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-thiophen-3-ylethyl)amino]-3-methylbutanamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccsc2)[C@@H](C(=O)NO)C(C)C)cc1
InChIInChI=1S/C18H24N2O5S2/c1-13(2)17(18(21)19-22)20(10-8-14-9-11-26-12-14)27(23,24)16-6-4-15(25-3)5-7-16/h4-7,9,11-13,17,22H,8,10H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyJRAGTXWAVPVMJV-QGZVFWFLSA-N
XLogP2.52
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.52
H-Bond Donors ≤ 52
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-4-((4-Methoxylphenyl)Sulfonyl)-2,2-Dimethyl-Hexahydro-1,4-Thiazepine-3(S)-Carboxamide
CID 5288814
(R)-2-(N-Benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-3-methylbutanamide
CID 9821883
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4-(methylsulfanyl)butanamide
CID 10693625
2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-3-methylbutanamide
CID 10834357
4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-methoxy-benzenesulfonyl)-amino]-butyramide
CID 9912382
(S)-N-hydroxy-4-(4-methoxyphenylsulfonyl)-2,2-dimethyl-1,4-thiazepane-3-carboxamide
CID 9976697
(S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid hydroxyamide
CID 10498747
(S)-4-(4-butoxyphenylsulfonyl)-N-hydroxy-2,2-dimethyl-1,4-thiazepane-3-carboxamide
CID 10502046
(S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,4]thiazonane-3-carboxylic acid hydroxyamide
CID 10549114
(3S)-4-(4-butoxyphenyl)sulfonyl-N-hydroxy-2,2-dimethyl-1,1-dioxo-1,4-thiazepane-3-carboxamide
CID 10599594
4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyphenylsulfonamido)butanamide
CID 15871222
N-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide
CID 20651316

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-thiophen-3-ylethyl)amino]-3-methylbutanamide?
The IUPAC name of (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-thiophen-3-ylethyl)amino]-3-methylbutanamide (CID 6539656) is (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-thiophen-3-ylethyl)amino]-3-methylbutanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-thiophen-3-ylethyl)amino]-3-methylbutanamide?
The canonical SMILES for (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-thiophen-3-ylethyl)amino]-3-methylbutanamide is COc1ccc(S(=O)(=O)N(CCc2ccsc2)[C@@H](C(=O)NO)C(C)C)cc1.
What is the InChIKey of (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-thiophen-3-ylethyl)amino]-3-methylbutanamide?
The InChIKey is JRAGTXWAVPVMJV-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N2O5S2/c1-13(2)17(18(21)19-22)20(10-8-14-9-11-26-12-14)27(23,24)16-6-4-15(25-3)5-7-16/h4-7,9,11-13,17,22H,8,10H2,1-3H3,(H,19,21)/t17-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-thiophen-3-ylethyl)amino]-3-methylbutanamide?
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-thiophen-3-ylethyl)amino]-3-methylbutanamide has a molecular weight of 412.53 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-thiophen-3-ylethyl)amino]-3-methylbutanamide is sourced from PubChem (CID 6539656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).