N-[4-methoxy-3-[[(1R)-3-methyl-1-phenylbutyl]sulfamoyl]phenyl]acetamide

C20H26N2O4S — CID 9453359

IUPACN-[4-methoxy-3-[[(1R)-3-methyl-1-phenylbutyl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H](CC(C)C)c1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-14(2)12-18(16-8-6-5-7-9-16)22-27(24,25)20-13-17(21-15(3)23)10-11-19(20)26-4/h5-11,13-14,18,22H,12H2,1-4H3,(H,21,23)/t18-/m1/s1
InChIKeyFRGSEHBKEGXEBC-GOSISDBHSA-N
MW390.51 g/mol
LogP3.72
Rot. Bonds8

About N-[4-methoxy-3-[[(1R)-3-methyl-1-phenylbutyl]sulfamoyl]phenyl]acetamide

N-[4-methoxy-3-[[(1R)-3-methyl-1-phenylbutyl]sulfamoyl]phenyl]acetamide (PubChem CID 9453359) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[4-methoxy-3-[[(1R)-3-methyl-1-phenylbutyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[[(1R)-3-methyl-1-phenylbutyl]sulfamoyl]phenyl]acetamide
PubChem CID9453359
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[4-methoxy-3-[[(1R)-3-methyl-1-phenylbutyl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H](CC(C)C)c1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-14(2)12-18(16-8-6-5-7-9-16)22-27(24,25)20-13-17(21-15(3)23)10-11-19(20)26-4/h5-11,13-14,18,22H,12H2,1-4H3,(H,21,23)/t18-/m1/s1
InChIKeyFRGSEHBKEGXEBC-GOSISDBHSA-N
XLogP3.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 133160729
(3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide
CID 7999988
3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 45439126
N-[4-[(3-methyl-1-phenylbutyl)amino]phenyl]acetamide
CID 43824761
N-[4-methoxy-3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]phenyl]acetamide
CID 23474131
N-(5-acetamido-2-methoxyphenyl)sulfonyl-2-methoxybenzamide
CID 75401840
5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide
CID 95118942
N-[3-[(3-methyl-1-phenylbutyl)amino]phenyl]acetamide
CID 43824801
N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772
N-[3-[[2-(aminomethyl)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide
CID 167948439
4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 46764694
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[[(1R)-3-methyl-1-phenylbutyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-methoxy-3-[[(1R)-3-methyl-1-phenylbutyl]sulfamoyl]phenyl]acetamide (CID 9453359) is N-[4-methoxy-3-[[(1R)-3-methyl-1-phenylbutyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-3-[[(1R)-3-methyl-1-phenylbutyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-methoxy-3-[[(1R)-3-methyl-1-phenylbutyl]sulfamoyl]phenyl]acetamide is COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H](CC(C)C)c1ccccc1.
What is the InChIKey of N-[4-methoxy-3-[[(1R)-3-methyl-1-phenylbutyl]sulfamoyl]phenyl]acetamide?
The InChIKey is FRGSEHBKEGXEBC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14(2)12-18(16-8-6-5-7-9-16)22-27(24,25)20-13-17(21-15(3)23)10-11-19(20)26-4/h5-11,13-14,18,22H,12H2,1-4H3,(H,21,23)/t18-/m1/s1.
What are the key properties of N-[4-methoxy-3-[[(1R)-3-methyl-1-phenylbutyl]sulfamoyl]phenyl]acetamide?
N-[4-methoxy-3-[[(1R)-3-methyl-1-phenylbutyl]sulfamoyl]phenyl]acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[[(1R)-3-methyl-1-phenylbutyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 9453359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).