N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

C16H21NO4S2 — CID 95367046

IUPACN-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](O)c1sccc1C
InChIInChI=1S/C16H21NO4S2/c1-10-5-6-22-16(10)13(18)9-17-23(19,20)15-8-12(3)11(2)7-14(15)21-4/h5-8,13,17-18H,9H2,1-4H3/t13-/m1/s1
InChIKeyHCOWXEACLRYNFE-CYBMUJFWSA-N
MW355.48 g/mol
LogP2.69
Rot. Bonds6

About N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 95367046) has the molecular formula C16H21NO4S2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID95367046
Molecular FormulaC16H21NO4S2
Molecular Weight355.48 g/mol
Exact Mass355.09
IUPAC NameN-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](O)c1sccc1C
InChIInChI=1S/C16H21NO4S2/c1-10-5-6-22-16(10)13(18)9-17-23(19,20)15-8-12(3)11(2)7-14(15)21-4/h5-8,13,17-18H,9H2,1-4H3/t13-/m1/s1
InChIKeyHCOWXEACLRYNFE-CYBMUJFWSA-N
XLogP2.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 90496874
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 95367034
2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 71781699
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640
4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90496827
2,6-difluoro-N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 95367028
N-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 51860924
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide
CID 90496859
methyl 3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213748
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methoxy-4-methylbenzenesulfonamide
CID 27262155
2-methoxy-4,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440479
5-bromo-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 35609931

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 95367046) is N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](O)c1sccc1C.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is HCOWXEACLRYNFE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21NO4S2/c1-10-5-6-22-16(10)13(18)9-17-23(19,20)15-8-12(3)11(2)7-14(15)21-4/h5-8,13,17-18H,9H2,1-4H3/t13-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 355.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 95367046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).