N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide

C19H24N2O3S — CID 94612968

IUPACN-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCCc1ccc([C@H](C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-5-15-10-12-16(13-11-15)14(2)20-19(22)17-8-6-7-9-18(17)21(3)25(4,23)24/h6-14H,5H2,1-4H3,(H,20,22)/t14-/m0/s1
InChIKeyLNWRBTMTDNDGAQ-AWEZNQCLSA-N
MW360.48 g/mol
LogP3.14
Rot. Bonds6

About N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide

N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 94612968) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
PubChem CID94612968
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCCc1ccc([C@H](C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-5-15-10-12-16(13-11-15)14(2)20-19(22)17-8-6-7-9-18(17)21(3)25(4,23)24/h6-14H,5H2,1-4H3,(H,20,22)/t14-/m0/s1
InChIKeyLNWRBTMTDNDGAQ-AWEZNQCLSA-N
XLogP3.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 28635604
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 100756077
2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 51335107
2-[benzenesulfonyl(benzyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 100632108
2-chloro-N-[1-(4-ethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 133199988
N-[1-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 17326783
N-[(1R)-1-(4-ethylphenyl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100758583
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 18153166
2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132667426
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 99645643
2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43910382
2-(benzenesulfonamido)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100620253

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide (CID 94612968) is N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide is CCc1ccc([C@H](C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is LNWRBTMTDNDGAQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-5-15-10-12-16(13-11-15)14(2)20-19(22)17-8-6-7-9-18(17)21(3)25(4,23)24/h6-14H,5H2,1-4H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 94612968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).