N-[2-[5-[benzyl-(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide

C22H24N2O3S2 — CID 60561216

IUPACN-[2-[5-[benzyl-(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C)c2)s1
InChIInChI=1S/C22H24N2O3S2/c1-17-7-6-10-20(15-17)24(16-19-8-4-3-5-9-19)29(26,27)22-12-11-21(28-22)13-14-23-18(2)25/h3-12,15H,13-14,16H2,1-2H3,(H,23,25)
InChIKeyVPQRFTHELUCNJS-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.13
Rot. Bonds8

About N-[2-[5-[benzyl-(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide

N-[2-[5-[benzyl-(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide (PubChem CID 60561216) has the molecular formula C22H24N2O3S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[2-[5-[benzyl-(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[benzyl-(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
PubChem CID60561216
Molecular FormulaC22H24N2O3S2
Molecular Weight428.58 g/mol
Exact Mass428.12
IUPAC NameN-[2-[5-[benzyl-(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C)c2)s1
InChIInChI=1S/C22H24N2O3S2/c1-17-7-6-10-20(15-17)24(16-19-8-4-3-5-9-19)29(26,27)22-12-11-21(28-22)13-14-23-18(2)25/h3-12,15H,13-14,16H2,1-2H3,(H,23,25)
InChIKeyVPQRFTHELUCNJS-UHFFFAOYSA-N
XLogP4.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]-benzylamino]-N-propylpropanamide
CID 132681043
(2R)-2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]-benzylamino]-N-methylpropanamide
CID 100561815
(2R)-2-[benzyl-[2-(3-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 125051560
2-[benzyl-[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-3-phenyl-N-propylpropanamide
CID 132635164
1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 52561459
2-[benzyl-[2-(3-methyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133212010
2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133233252
(2S)-2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100664057
(4-chloro-3-ethylphenyl) 5-(2-acetamidoethyl)thiophene-2-sulfonate
CID 60561272
N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 53285343
(2R)-2-[benzyl-[2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetyl]amino]-N-propylbutanamide
CID 100540567
2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]-[(3-methylphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132635140

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[benzyl-(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[benzyl-(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide (CID 60561216) is N-[2-[5-[benzyl-(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[benzyl-(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[benzyl-(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide is CC(=O)NCCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C)c2)s1.
What is the InChIKey of N-[2-[5-[benzyl-(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide?
The InChIKey is VPQRFTHELUCNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S2/c1-17-7-6-10-20(15-17)24(16-19-8-4-3-5-9-19)29(26,27)22-12-11-21(28-22)13-14-23-18(2)25/h3-12,15H,13-14,16H2,1-2H3,(H,23,25).
What are the key properties of N-[2-[5-[benzyl-(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide?
N-[2-[5-[benzyl-(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide has a molecular weight of 428.58 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[benzyl-(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 60561216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).