N-[2-(3-ethoxyphenyl)ethyl]-4-sulfamoylbenzamide

C17H20N2O4S — CID 57412422

IUPACN-[2-(3-ethoxyphenyl)ethyl]-4-sulfamoylbenzamide
SMILESCCOc1cccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H20N2O4S/c1-2-23-15-5-3-4-13(12-15)10-11-19-17(20)14-6-8-16(9-7-14)24(18,21)22/h3-9,12H,2,10-11H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyHUTCTQGBOFUZJI-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.71
Rot. Bonds7

About N-[2-(3-ethoxyphenyl)ethyl]-4-sulfamoylbenzamide

N-[2-(3-ethoxyphenyl)ethyl]-4-sulfamoylbenzamide (PubChem CID 57412422) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[2-(3-ethoxyphenyl)ethyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[2-(3-ethoxyphenyl)ethyl]-4-sulfamoylbenzamide
PubChem CID57412422
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[2-(3-ethoxyphenyl)ethyl]-4-sulfamoylbenzamide
SMILESCCOc1cccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H20N2O4S/c1-2-23-15-5-3-4-13(12-15)10-11-19-17(20)14-6-8-16(9-7-14)24(18,21)22/h3-9,12H,2,10-11H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyHUTCTQGBOFUZJI-UHFFFAOYSA-N
XLogP1.71
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11707647
Glisentide
CID 65779
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N-[2-(3,4-Dimethoxyphenyl)ethyl]-4-Sulfamoylbenzamide
CID 21806575
4-Methoxy-3-(3-Methoxypropoxy)-N-{[(3s,4s)-4-{[(4-Methylphenyl)sulfonyl]amino}pyrrolidin-3-Yl]methyl}-N-(Propan-2-Yl)benzamide
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2-(4-methoxyphenyl)-N-(4-sulfamoylbenzyl)acetamide
CID 4578038
4-Dipropylsulfamoyl-N-furan-2-ylmethyl-benzamide
CID 1128083
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2116217
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
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CID 1044182
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CID 2291802

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxyphenyl)ethyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[2-(3-ethoxyphenyl)ethyl]-4-sulfamoylbenzamide (CID 57412422) is N-[2-(3-ethoxyphenyl)ethyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[2-(3-ethoxyphenyl)ethyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[2-(3-ethoxyphenyl)ethyl]-4-sulfamoylbenzamide is CCOc1cccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of N-[2-(3-ethoxyphenyl)ethyl]-4-sulfamoylbenzamide?
The InChIKey is HUTCTQGBOFUZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-2-23-15-5-3-4-13(12-15)10-11-19-17(20)14-6-8-16(9-7-14)24(18,21)22/h3-9,12H,2,10-11H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of N-[2-(3-ethoxyphenyl)ethyl]-4-sulfamoylbenzamide?
N-[2-(3-ethoxyphenyl)ethyl]-4-sulfamoylbenzamide has a molecular weight of 348.42 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxyphenyl)ethyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 57412422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).