2-(4-ethoxyphenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide

C22H29N3O4S2 — CID 30991886

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCCOc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCN(CC)CC3)cc2)cc1
InChIInChI=1S/C22H29N3O4S2/c1-3-24-13-15-25(16-14-24)31(27,28)21-11-5-18(6-12-21)23-22(26)17-30-20-9-7-19(8-10-20)29-4-2/h5-12H,3-4,13-17H2,1-2H3,(H,23,26)
InChIKeyDVCZEYGEZDJDCD-UHFFFAOYSA-N
MW463.63 g/mol
LogP3.14
Rot. Bonds9

About 2-(4-ethoxyphenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide

2-(4-ethoxyphenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 30991886) has the molecular formula C22H29N3O4S2 and a molecular weight of 463.63 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID30991886
Molecular FormulaC22H29N3O4S2
Molecular Weight463.63 g/mol
Exact Mass463.16
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCCOc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCN(CC)CC3)cc2)cc1
InChIInChI=1S/C22H29N3O4S2/c1-3-24-13-15-25(16-14-24)31(27,28)21-11-5-18(6-12-21)23-22(26)17-30-20-9-7-19(8-10-20)29-4-2/h5-12H,3-4,13-17H2,1-2H3,(H,23,26)
InChIKeyDVCZEYGEZDJDCD-UHFFFAOYSA-N
XLogP3.14
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 28633089
2-(4-ethoxyphenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9404160
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(4-fluorophenoxy)propanamide
CID 55596310
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23094970
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 24529591
1-(4-ethoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiourea
CID 25238406
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 30499440
2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 9492775
N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 23733304
2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7456554
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide (CID 30991886) is 2-(4-ethoxyphenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide is CCOc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCN(CC)CC3)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is DVCZEYGEZDJDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S2/c1-3-24-13-15-25(16-14-24)31(27,28)21-11-5-18(6-12-21)23-22(26)17-30-20-9-7-19(8-10-20)29-4-2/h5-12H,3-4,13-17H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide?
2-(4-ethoxyphenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 463.63 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 30991886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).