3-[1-[3-ethyl-4-(methanesulfonamido)phenyl]-2-methylpropan-2-yl]benzamide

C20H26N2O3S — CID 166778256

IUPAC3-[1-[3-ethyl-4-(methanesulfonamido)phenyl]-2-methylpropan-2-yl]benzamide
SMILESCCc1cc(CC(C)(C)c2cccc(C(N)=O)c2)ccc1NS(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-5-15-11-14(9-10-18(15)22-26(4,24)25)13-20(2,3)17-8-6-7-16(12-17)19(21)23/h6-12,22H,5,13H2,1-4H3,(H2,21,23)
InChIKeyNCPYGMLMLIUUME-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.24
Rot. Bonds7

About 3-[1-[3-ethyl-4-(methanesulfonamido)phenyl]-2-methylpropan-2-yl]benzamide

3-[1-[3-ethyl-4-(methanesulfonamido)phenyl]-2-methylpropan-2-yl]benzamide (PubChem CID 166778256) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-[1-[3-ethyl-4-(methanesulfonamido)phenyl]-2-methylpropan-2-yl]benzamide.

Molecular Properties

Compound Name3-[1-[3-ethyl-4-(methanesulfonamido)phenyl]-2-methylpropan-2-yl]benzamide
PubChem CID166778256
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name3-[1-[3-ethyl-4-(methanesulfonamido)phenyl]-2-methylpropan-2-yl]benzamide
SMILESCCc1cc(CC(C)(C)c2cccc(C(N)=O)c2)ccc1NS(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-5-15-11-14(9-10-18(15)22-26(4,24)25)13-20(2,3)17-8-6-7-16(12-17)19(21)23/h6-12,22H,5,13H2,1-4H3,(H2,21,23)
InChIKeyNCPYGMLMLIUUME-UHFFFAOYSA-N
XLogP3.24
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[4-(2-amino-2-oxoethyl)-3-tert-butylphenyl]-2-methylpropan-2-yl]-N-cyclopropylbenzamide
CID 134476073
(2S)-2-amino-3-[3-hydroxy-4-(methanesulfonamido)phenyl]-2-methylpropanoic acid
CID 10446808
ethane;3-methylbenzamide;N-(2-methylphenyl)methanesulfonamide
CID 144655985
N-(4-bromo-2-ethylphenyl)methanesulfonamide
CID 6469152
2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide
CID 68721183
3-[2,4-dimethyl-4-(4-propan-2-ylphenyl)pentan-2-yl]benzamide
CID 163393859
[1-[4-[[3-(methanesulfonamido)benzoyl]amino]phenyl]-2-methylpropan-2-yl] carbamate
CID 174376730
3-[4-[3-(4-tert-butylphenyl)propanoylamino]-3-(hydroxymethyl)phenyl]benzamide
CID 11851752
4-[(3-methylsulfonylanilino)methyl]benzamide
CID 60713201
pent-1-ene;3-(trifluoromethyl)benzamide
CID 174337968
N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone
CID 157447458
3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide
CID 118376771

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-ethyl-4-(methanesulfonamido)phenyl]-2-methylpropan-2-yl]benzamide?
The IUPAC name of 3-[1-[3-ethyl-4-(methanesulfonamido)phenyl]-2-methylpropan-2-yl]benzamide (CID 166778256) is 3-[1-[3-ethyl-4-(methanesulfonamido)phenyl]-2-methylpropan-2-yl]benzamide.
What is the SMILES notation for 3-[1-[3-ethyl-4-(methanesulfonamido)phenyl]-2-methylpropan-2-yl]benzamide?
The canonical SMILES for 3-[1-[3-ethyl-4-(methanesulfonamido)phenyl]-2-methylpropan-2-yl]benzamide is CCc1cc(CC(C)(C)c2cccc(C(N)=O)c2)ccc1NS(C)(=O)=O.
What is the InChIKey of 3-[1-[3-ethyl-4-(methanesulfonamido)phenyl]-2-methylpropan-2-yl]benzamide?
The InChIKey is NCPYGMLMLIUUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-5-15-11-14(9-10-18(15)22-26(4,24)25)13-20(2,3)17-8-6-7-16(12-17)19(21)23/h6-12,22H,5,13H2,1-4H3,(H2,21,23).
What are the key properties of 3-[1-[3-ethyl-4-(methanesulfonamido)phenyl]-2-methylpropan-2-yl]benzamide?
3-[1-[3-ethyl-4-(methanesulfonamido)phenyl]-2-methylpropan-2-yl]benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-ethyl-4-(methanesulfonamido)phenyl]-2-methylpropan-2-yl]benzamide is sourced from PubChem (CID 166778256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).