2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide

C22H30N2O4S — CID 133220057

IUPAC2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2cc(C)c(C)cc2C)cc1C(=O)NC(C)C
InChIInChI=1S/C22H30N2O4S/c1-13(2)23-22(25)20-12-18(8-9-21(20)28-7)29(26,27)24-17(6)19-11-15(4)14(3)10-16(19)5/h8-13,17,24H,1-7H3,(H,23,25)
InChIKeyJJOYEZVWTXJDAH-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.80
Rot. Bonds7

About 2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide

2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide (PubChem CID 133220057) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide
PubChem CID133220057
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2cc(C)c(C)cc2C)cc1C(=O)NC(C)C
InChIInChI=1S/C22H30N2O4S/c1-13(2)23-22(25)20-12-18(8-9-21(20)28-7)29(26,27)24-17(6)19-11-15(4)14(3)10-16(19)5/h8-13,17,24H,1-7H3,(H,23,25)
InChIKeyJJOYEZVWTXJDAH-UHFFFAOYSA-N
XLogP3.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-[[(1R)-1-(4-methylphenyl)ethyl]sulfamoyl]-N-propan-2-ylbenzamide
CID 28572520
3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217933
5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
CID 92680004
N-[2-methoxy-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 43906499
2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide
CID 133158390
(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30404005
5-[1-(2,5-dimethoxyphenyl)ethylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 133203803
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28565515
2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55607195
5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide
CID 100553276
methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate
CID 100763986
2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217876

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide?
The IUPAC name of 2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide (CID 133220057) is 2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide.
What is the SMILES notation for 2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide?
The canonical SMILES for 2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide is COc1ccc(S(=O)(=O)NC(C)c2cc(C)c(C)cc2C)cc1C(=O)NC(C)C.
What is the InChIKey of 2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide?
The InChIKey is JJOYEZVWTXJDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-13(2)23-22(25)20-12-18(8-9-21(20)28-7)29(26,27)24-17(6)19-11-15(4)14(3)10-16(19)5/h8-13,17,24H,1-7H3,(H,23,25).
What are the key properties of 2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide?
2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide has a molecular weight of 418.56 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide is sourced from PubChem (CID 133220057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).