3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide

C18H22N2O3S — CID 18107551

IUPAC3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O3S/c1-14(11-12-15-7-4-3-5-8-15)19-18(21)16-9-6-10-17(13-16)20-24(2,22)23/h3-10,13-14,20H,11-12H2,1-2H3,(H,19,21)
InChIKeyRGFQIBWVDNNNEJ-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.81
Rot. Bonds7

About 3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide

3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 18107551) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide
PubChem CID18107551
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O3S/c1-14(11-12-15-7-4-3-5-8-15)19-18(21)16-9-6-10-17(13-16)20-24(2,22)23/h3-10,13-14,20H,11-12H2,1-2H3,(H,19,21)
InChIKeyRGFQIBWVDNNNEJ-UHFFFAOYSA-N
XLogP2.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 41453393
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257
3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 1241661
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide
CID 43016598
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(methanesulfonamido)benzoate
CID 18091178
3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 2946068
N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 2521792
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 43925854
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704780

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide (CID 18107551) is 3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide is CC(CCc1ccccc1)NC(=O)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of 3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is RGFQIBWVDNNNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14(11-12-15-7-4-3-5-8-15)19-18(21)16-9-6-10-17(13-16)20-24(2,22)23/h3-10,13-14,20H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide?
3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 346.45 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 18107551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).