N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-4-(methoxymethyl)benzamide

C18H22N2O4S — CID 51947344

IUPACN-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13(16-5-4-6-17(11-16)20-25(3,22)23)19-18(21)15-9-7-14(8-10-15)12-24-2/h4-11,13,20H,12H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyDBAXKLAXJCRTNN-ZDUSSCGKSA-N
MW362.45 g/mol
LogP2.70
Rot. Bonds7

About N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-4-(methoxymethyl)benzamide

N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-4-(methoxymethyl)benzamide (PubChem CID 51947344) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-4-(methoxymethyl)benzamide
PubChem CID51947344
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13(16-5-4-6-17(11-16)20-25(3,22)23)19-18(21)15-9-7-14(8-10-15)12-24-2/h4-11,13,20H,12H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyDBAXKLAXJCRTNN-ZDUSSCGKSA-N
XLogP2.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26957780
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 55666139
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide
CID 55837471
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide
CID 60512770
methyl 3-[1-[3-(methanesulfonamido)phenyl]ethylcarbamoyl]-5-nitrobenzoate
CID 55711483
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8623654
N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 17435884
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8620540
1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 94196351
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(methanesulfonamido)benzamide
CID 55579514
4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 102851079
4-(methoxymethyl)-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 31886869

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-4-(methoxymethyl)benzamide (CID 51947344) is N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1.
What is the InChIKey of N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-4-(methoxymethyl)benzamide?
The InChIKey is DBAXKLAXJCRTNN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13(16-5-4-6-17(11-16)20-25(3,22)23)19-18(21)15-9-7-14(8-10-15)12-24-2/h4-11,13,20H,12H2,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-4-(methoxymethyl)benzamide?
N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-4-(methoxymethyl)benzamide has a molecular weight of 362.45 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 51947344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).