N-[1-(3,4-dimethylphenoxy)propan-2-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide

C20H27NO4S — CID 133161830

IUPACN-[1-(3,4-dimethylphenoxy)propan-2-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)COc2ccc(C)c(C)c2)c(C)c1C
InChIInChI=1S/C20H27NO4S/c1-13-7-8-18(11-14(13)2)25-12-15(3)21-26(22,23)20-10-9-19(24-6)16(4)17(20)5/h7-11,15,21H,12H2,1-6H3
InChIKeyNVCBUFDKIJIJFM-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.67
Rot. Bonds7

About N-[1-(3,4-dimethylphenoxy)propan-2-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide

N-[1-(3,4-dimethylphenoxy)propan-2-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide (PubChem CID 133161830) has the molecular formula C20H27NO4S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenoxy)propan-2-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenoxy)propan-2-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide
PubChem CID133161830
Molecular FormulaC20H27NO4S
Molecular Weight377.51 g/mol
Exact Mass377.17
IUPAC NameN-[1-(3,4-dimethylphenoxy)propan-2-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)COc2ccc(C)c(C)c2)c(C)c1C
InChIInChI=1S/C20H27NO4S/c1-13-7-8-18(11-14(13)2)25-12-15(3)21-26(22,23)20-10-9-19(24-6)16(4)17(20)5/h7-11,15,21H,12H2,1-6H3
InChIKeyNVCBUFDKIJIJFM-UHFFFAOYSA-N
XLogP3.67
TPSA64.63 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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethylphenoxy)propan-2-yl]methanesulfonamide
CID 56920264
3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide
CID 30387494
4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 100710078
2-methoxy-N-(1-methoxypropan-2-yl)-5-methylbenzenesulfonamide
CID 6461003
2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide
CID 95119287
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 133210573
4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide
CID 100693581
N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 99490430
N-[5-[1-(3,4-dimethylphenoxy)propan-2-ylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 133161502
N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100668632
N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide
CID 100760780
6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
CID 100759720

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenoxy)propan-2-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(3,4-dimethylphenoxy)propan-2-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide (CID 133161830) is N-[1-(3,4-dimethylphenoxy)propan-2-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenoxy)propan-2-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(3,4-dimethylphenoxy)propan-2-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)COc2ccc(C)c(C)c2)c(C)c1C.
What is the InChIKey of N-[1-(3,4-dimethylphenoxy)propan-2-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
The InChIKey is NVCBUFDKIJIJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4S/c1-13-7-8-18(11-14(13)2)25-12-15(3)21-26(22,23)20-10-9-19(24-6)16(4)17(20)5/h7-11,15,21H,12H2,1-6H3.
What are the key properties of N-[1-(3,4-dimethylphenoxy)propan-2-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenoxy)propan-2-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 133161830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).