(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-propoxynaphthalen-2-yl)sulfanylamino]butanamide

C23H34N2O3S — CID 143925967

IUPAC(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-propoxynaphthalen-2-yl)sulfanylamino]butanamide
SMILESCCCOc1ccc2cc(SN(CCC(C)C)[C@@H](C(=O)NO)C(C)C)ccc2c1
InChIInChI=1S/C23H34N2O3S/c1-6-13-28-20-9-7-19-15-21(10-8-18(19)14-20)29-25(12-11-16(2)3)22(17(4)5)23(26)24-27/h7-10,14-17,22,27H,6,11-13H2,1-5H3,(H,24,26)/t22-/m1/s1
InChIKeyNIPFLIITXMQUOS-JOCHJYFZSA-N
MW418.60 g/mol
LogP5.51
Rot. Bonds11

About (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-propoxynaphthalen-2-yl)sulfanylamino]butanamide

(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-propoxynaphthalen-2-yl)sulfanylamino]butanamide (PubChem CID 143925967) has the molecular formula C23H34N2O3S and a molecular weight of 418.60 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-propoxynaphthalen-2-yl)sulfanylamino]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-propoxynaphthalen-2-yl)sulfanylamino]butanamide
PubChem CID143925967
Molecular FormulaC23H34N2O3S
Molecular Weight418.60 g/mol
Exact Mass418.23
IUPAC Name(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-propoxynaphthalen-2-yl)sulfanylamino]butanamide
SMILESCCCOc1ccc2cc(SN(CCC(C)C)[C@@H](C(=O)NO)C(C)C)ccc2c1
InChIInChI=1S/C23H34N2O3S/c1-6-13-28-20-9-7-19-15-21(10-8-18(19)14-20)29-25(12-11-16(2)3)22(17(4)5)23(26)24-27/h7-10,14-17,22,27H,6,11-13H2,1-5H3,(H,24,26)/t22-/m1/s1
InChIKeyNIPFLIITXMQUOS-JOCHJYFZSA-N
XLogP5.51
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.60
LogP ≤ 55.51
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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfanylamino]-N-hydroxy-3,3-dimethylbutanamide
CID 143925983
methyl 4-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfanyl)amino]pentanoate
CID 91140768
(2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide
CID 58256217
(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-methylnaphthalen-2-yl)sulfonylamino]butanamide
CID 87289862
(2R)-2-methyl-1-[4-[2-(6-undecoxynaphthalen-2-yl)ethyl]phenyl]octan-1-one
CID 150153619
ethyl 2-(4-methoxyphenyl)sulfanyl-3-methylbutanoate;N-hydroxy-2-(4-methoxyphenyl)sulfanyl-3-methylbutanamide
CID 158933985
N-hydroxy-3-methyl-2-[3-methylbutyl-(7-methylnaphthalen-2-yl)sulfonylamino]butanamide
CID 76747684
N-hydroxy-2-naphthalen-2-yloxyundecanamide
CID 14032482
(2R)-2-[2-(2-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide
CID 58256174
ethane;1-(3-methylbutoxy)-3-propoxybenzene
CID 170603501
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769
3-[[2-hydroxy-2-(4-propoxyphenyl)ethyl]-methylamino]propanoic acid
CID 82216140

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-propoxynaphthalen-2-yl)sulfanylamino]butanamide?
The IUPAC name of (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-propoxynaphthalen-2-yl)sulfanylamino]butanamide (CID 143925967) is (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-propoxynaphthalen-2-yl)sulfanylamino]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-propoxynaphthalen-2-yl)sulfanylamino]butanamide?
The canonical SMILES for (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-propoxynaphthalen-2-yl)sulfanylamino]butanamide is CCCOc1ccc2cc(SN(CCC(C)C)[C@@H](C(=O)NO)C(C)C)ccc2c1.
What is the InChIKey of (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-propoxynaphthalen-2-yl)sulfanylamino]butanamide?
The InChIKey is NIPFLIITXMQUOS-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H34N2O3S/c1-6-13-28-20-9-7-19-15-21(10-8-18(19)14-20)29-25(12-11-16(2)3)22(17(4)5)23(26)24-27/h7-10,14-17,22,27H,6,11-13H2,1-5H3,(H,24,26)/t22-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-propoxynaphthalen-2-yl)sulfanylamino]butanamide?
(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-propoxynaphthalen-2-yl)sulfanylamino]butanamide has a molecular weight of 418.60 g/mol, XLogP of 5.51, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-propoxynaphthalen-2-yl)sulfanylamino]butanamide is sourced from PubChem (CID 143925967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).