3-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide

C20H26N2O4S — CID 28566637

IUPAC3-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C20H26N2O4S/c1-14(2)12-19(15-8-10-18(26-3)11-9-15)21-20(23)16-6-5-7-17(13-16)22-27(4,24)25/h5-11,13-14,19,22H,12H2,1-4H3,(H,21,23)/t19-/m0/s1
InChIKeyZFTZXAGLTFHGGN-IBGZPJMESA-N
MW390.51 g/mol
LogP3.58
Rot. Bonds8

About 3-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide

3-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide (PubChem CID 28566637) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
PubChem CID28566637
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name3-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C20H26N2O4S/c1-14(2)12-19(15-8-10-18(26-3)11-9-15)21-20(23)16-6-5-7-17(13-16)22-27(4,24)25/h5-11,13-14,19,22H,12H2,1-4H3,(H,21,23)/t19-/m0/s1
InChIKeyZFTZXAGLTFHGGN-IBGZPJMESA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide
CID 43916366
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55470366
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
CID 133202746
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 94020007
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(2-methylprop-2-enoxy)benzamide
CID 132655047
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
CID 28631733
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 93486374
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 92674510
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 100613058
4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 43875821
3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide
CID 43016598

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide (CID 28566637) is 3-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide is COc1ccc([C@H](CC(C)C)NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1.
What is the InChIKey of 3-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
The InChIKey is ZFTZXAGLTFHGGN-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14(2)12-19(15-8-10-18(26-3)11-9-15)21-20(23)16-6-5-7-17(13-16)22-27(4,24)25/h5-11,13-14,19,22H,12H2,1-4H3,(H,21,23)/t19-/m0/s1.
What are the key properties of 3-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
3-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide has a molecular weight of 390.51 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide is sourced from PubChem (CID 28566637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).