N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide

C20H27NO4S — CID 41244864

IUPACN-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide
SMILESCN(C[C@@H](O)COc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H27NO4S/c1-20(2,3)16-10-12-18(13-11-16)25-15-17(22)14-21(4)26(23,24)19-8-6-5-7-9-19/h5-13,17,22H,14-15H2,1-4H3/t17-/m1/s1
InChIKeyVVWSHCCYPQAMLC-QGZVFWFLSA-N
MW377.51 g/mol
LogP3.04
Rot. Bonds7

About N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide

N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide (PubChem CID 41244864) has the molecular formula C20H27NO4S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide
PubChem CID41244864
Molecular FormulaC20H27NO4S
Molecular Weight377.51 g/mol
Exact Mass377.17
IUPAC NameN-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide
SMILESCN(C[C@@H](O)COc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H27NO4S/c1-20(2,3)16-10-12-18(13-11-16)25-15-17(22)14-21(4)26(23,24)19-8-6-5-7-9-19/h5-13,17,22H,14-15H2,1-4H3/t17-/m1/s1
InChIKeyVVWSHCCYPQAMLC-QGZVFWFLSA-N
XLogP3.04
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide
CID 122132161
1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol
CID 2843556
(2S)-1-[4-[2-[4-[(2S)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974246
(2S)-1-[4-[2-[4-[(2R)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974245
(2S)-1-[4-[(2R)-2-hydroxy-3-(N-methylanilino)propoxy]phenoxy]-3-(N-methylanilino)propan-2-ol
CID 1232760
N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide
CID 81258385
4-bromo-N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzamide
CID 7318127
4-(cyclohexylmethoxy)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylbenzenesulfonamide
CID 97246564
(2-hydroxy-3-phenoxypropyl) 4-tert-butylbenzoate
CID 122466220
1-(4-tert-butylphenoxy)-3-(3,5-ditert-butylphenoxy)propan-2-ol
CID 140533056
N-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-phenylbutanamide
CID 19218783
1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166193938

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide (CID 41244864) is N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide is CN(C[C@@H](O)COc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide?
The InChIKey is VVWSHCCYPQAMLC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27NO4S/c1-20(2,3)16-10-12-18(13-11-16)25-15-17(22)14-21(4)26(23,24)19-8-6-5-7-9-19/h5-13,17,22H,14-15H2,1-4H3/t17-/m1/s1.
What are the key properties of N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide?
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 41244864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).