4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide

C18H22N2O4S — CID 94027949

IUPAC4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-25(22,23)20-16-9-5-15(6-10-16)18(21)19-13(2)14-7-11-17(24-3)12-8-14/h5-13,20H,4H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyQRVQQMXJLOMQQC-ZDUSSCGKSA-N
MW362.45 g/mol
LogP2.95
Rot. Bonds7

About 4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide

4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 94027949) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
PubChem CID94027949
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-25(22,23)20-16-9-5-15(6-10-16)18(21)19-13(2)14-7-11-17(24-3)12-8-14/h5-13,20H,4H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyQRVQQMXJLOMQQC-ZDUSSCGKSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132672025
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92681084
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
4-(ethylsulfonylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 135120365
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
N-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 53279777
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28558127

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide (CID 94027949) is 4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide is CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is QRVQQMXJLOMQQC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-25(22,23)20-16-9-5-15(6-10-16)18(21)19-13(2)14-7-11-17(24-3)12-8-14/h5-13,20H,4H2,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 362.45 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 94027949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).