N-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide

C21H22N2O3S2 — CID 42918243

IUPACN-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NC(C)c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C21H22N2O3S2/c1-15(17-8-10-19(11-9-17)18-6-4-3-5-7-18)23-28(25,26)21-13-12-20(27-21)14-22-16(2)24/h3-13,15,23H,14H2,1-2H3,(H,22,24)
InChIKeyRTVDMYJJBFYHIW-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.09
Rot. Bonds7

About N-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide

N-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 42918243) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
PubChem CID42918243
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC NameN-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NC(C)c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C21H22N2O3S2/c1-15(17-8-10-19(11-9-17)18-6-4-3-5-7-18)23-28(25,26)21-13-12-20(27-21)14-22-16(2)24/h3-13,15,23H,14H2,1-2H3,(H,22,24)
InChIKeyRTVDMYJJBFYHIW-UHFFFAOYSA-N
XLogP4.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid
CID 43079020
N-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553889
5-(2-aminoethyl)-N-(1-phenylethyl)thiophene-2-sulfonamide
CID 43520782
5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63867055
N-[[5-[(4-methylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553822
N-[[5-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 98706346
N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
CID 119988458
N-[[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30180963
N-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55435788
2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120831726
2-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 45298894
5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide
CID 66929809

Frequently Asked Questions

What is the IUPAC name of N-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide (CID 42918243) is N-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)NC(C)c2ccc(-c3ccccc3)cc2)s1.
What is the InChIKey of N-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is RTVDMYJJBFYHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-15(17-8-10-19(11-9-17)18-6-4-3-5-7-18)23-28(25,26)21-13-12-20(27-21)14-22-16(2)24/h3-13,15,23H,14H2,1-2H3,(H,22,24).
What are the key properties of N-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 414.55 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 42918243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).