N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide

C21H21ClN2O3S2 — CID 20855632

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NCCc2ccc(Cl)cc2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C21H21ClN2O3S2/c1-16-4-10-19(11-5-16)24(29(26,27)21-3-2-14-28-21)15-20(25)23-13-12-17-6-8-18(22)9-7-17/h2-11,14H,12-13,15H2,1H3,(H,23,25)
InChIKeySOALETVYJHWZAU-UHFFFAOYSA-N
MW449.00 g/mol
LogP4.26
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide (PubChem CID 20855632) has the molecular formula C21H21ClN2O3S2 and a molecular weight of 449.00 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
PubChem CID20855632
Molecular FormulaC21H21ClN2O3S2
Molecular Weight449.00 g/mol
Exact Mass448.07
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NCCc2ccc(Cl)cc2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C21H21ClN2O3S2/c1-16-4-10-19(11-5-16)24(29(26,27)21-3-2-14-28-21)15-20(25)23-13-12-17-6-8-18(22)9-7-17/h2-11,14H,12-13,15H2,1H3,(H,23,25)
InChIKeySOALETVYJHWZAU-UHFFFAOYSA-N
XLogP4.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.00
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylphenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 20855643
2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 3236370
N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 22422194
N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30278205
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30251563
N-(2,5-difluorophenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 126458216
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221650
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1338759
N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221629
ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100547151
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 1364923
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 30214045

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide (CID 20855632) is N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide is Cc1ccc(N(CC(=O)NCCc2ccc(Cl)cc2)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide?
The InChIKey is SOALETVYJHWZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3S2/c1-16-4-10-19(11-5-16)24(29(26,27)21-3-2-14-28-21)15-20(25)23-13-12-17-6-8-18(22)9-7-17/h2-11,14H,12-13,15H2,1H3,(H,23,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide has a molecular weight of 449.00 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide is sourced from PubChem (CID 20855632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).