N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide

C20H25NO4S — CID 55759452

IUPACN-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C20H25NO4S/c1-5-25-18-10-6-16(7-11-18)15(4)21-20(22)17-8-12-19(13-9-17)26(23,24)14(2)3/h6-15H,5H2,1-4H3,(H,21,22)
InChIKeyHIOVOTILLDNOHH-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.76
Rot. Bonds7

About N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide

N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide (PubChem CID 55759452) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide
PubChem CID55759452
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C20H25NO4S/c1-5-25-18-10-6-16(7-11-18)15(4)21-20(22)17-8-12-19(13-9-17)26(23,24)14(2)3/h6-15H,5H2,1-4H3,(H,21,22)
InChIKeyHIOVOTILLDNOHH-UHFFFAOYSA-N
XLogP3.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55490961
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate
CID 51292630
4-[benzenesulfonyl(methyl)amino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 93487645
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 92679749
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 24575206
4-[(4-ethoxy-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 125060844
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 92686168
N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 42928541
3-chloro-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 38015785

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide (CID 55759452) is N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide is CCOc1ccc(C(C)NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide?
The InChIKey is HIOVOTILLDNOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-5-25-18-10-6-16(7-11-18)15(4)21-20(22)17-8-12-19(13-9-17)26(23,24)14(2)3/h6-15H,5H2,1-4H3,(H,21,22).
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide?
N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide has a molecular weight of 375.49 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 55759452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).