N-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide

C20H27NO4S — CID 27371013

IUPACN-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide
SMILESCc1cc(C)c(N(C[C@@H](O)COc2ccccc2C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C20H27NO4S/c1-14-10-16(3)20(17(4)11-14)21(26(5,23)24)12-18(22)13-25-19-9-7-6-8-15(19)2/h6-11,18,22H,12-13H2,1-5H3/t18-/m1/s1
InChIKeyMJQCYSDDRGKAEK-GOSISDBHSA-N
MW377.51 g/mol
LogP3.13
Rot. Bonds7

About N-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide

N-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide (PubChem CID 27371013) has the molecular formula C20H27NO4S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide
PubChem CID27371013
Molecular FormulaC20H27NO4S
Molecular Weight377.51 g/mol
Exact Mass377.17
IUPAC NameN-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide
SMILESCc1cc(C)c(N(C[C@@H](O)COc2ccccc2C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C20H27NO4S/c1-14-10-16(3)20(17(4)11-14)21(26(5,23)24)12-18(22)13-25-19-9-7-6-8-15(19)2/h6-11,18,22H,12-13H2,1-5H3/t18-/m1/s1
InChIKeyMJQCYSDDRGKAEK-GOSISDBHSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 4598465
N-[(2R)-3-(benzylamino)-2-hydroxypropyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide
CID 39116226
1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2915985
1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 3843080
1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol
CID 42682310
[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] nitrate
CID 177494684
1-[bis(prop-2-ynyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 111490400
1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 117067141
(2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163727
N-(4-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]methanesulfonamide
CID 71945504
(2R)-1-[(2,5-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93161722
(2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93164105

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide (CID 27371013) is N-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide is Cc1cc(C)c(N(C[C@@H](O)COc2ccccc2C)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide?
The InChIKey is MJQCYSDDRGKAEK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27NO4S/c1-14-10-16(3)20(17(4)11-14)21(26(5,23)24)12-18(22)13-25-19-9-7-6-8-15(19)2/h6-11,18,22H,12-13H2,1-5H3/t18-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide?
N-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide is sourced from PubChem (CID 27371013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).