N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide

C18H22N2O4S — CID 51164410

IUPACN-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCCc1ccc(C(C)NC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-13-5-7-14(8-6-13)12(2)20-18(21)16-11-15(25(19,22)23)9-10-17(16)24-3/h5-12H,4H2,1-3H3,(H,20,21)(H2,19,22,23)
InChIKeyJHAJGETUAZMIQZ-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.40
Rot. Bonds6

About N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide

N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide (PubChem CID 51164410) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide
PubChem CID51164410
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCCc1ccc(C(C)NC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-13-5-7-14(8-6-13)12(2)20-18(21)16-11-15(25(19,22)23)9-10-17(16)24-3/h5-12H,4H2,1-3H3,(H,20,21)(H2,19,22,23)
InChIKeyJHAJGETUAZMIQZ-UHFFFAOYSA-N
XLogP2.40
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7890501
2-methoxy-5-sulfamoyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 16574206
2-methoxy-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
CID 43019463
2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide
CID 38280263
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
2-methoxy-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5-sulfamoylbenzamide
CID 125170561
2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845
5-ethyl-2-methoxy-N-propan-2-ylbenzamide
CID 110761959
N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 7601402
N-(1-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115769101
[2-oxo-2-(propan-2-ylamino)ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7467931
3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide
CID 133210299

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide (CID 51164410) is N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide is CCc1ccc(C(C)NC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide?
The InChIKey is JHAJGETUAZMIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-13-5-7-14(8-6-13)12(2)20-18(21)16-11-15(25(19,22)23)9-10-17(16)24-3/h5-12H,4H2,1-3H3,(H,20,21)(H2,19,22,23).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide?
N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide has a molecular weight of 362.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 51164410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).