2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide

C21H26ClN3O4S — CID 18571787

IUPAC2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCNC(=O)Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H26ClN3O4S/c1-29-19-6-8-20(9-7-19)30(27,28)25-14-12-24(13-15-25)11-10-23-21(26)16-17-2-4-18(22)5-3-17/h2-9H,10-16H2,1H3,(H,23,26)
InChIKeyRBMZEQYVDPRHGE-UHFFFAOYSA-N
MW451.98 g/mol
LogP2.01
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide

2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide (PubChem CID 18571787) has the molecular formula C21H26ClN3O4S and a molecular weight of 451.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
PubChem CID18571787
Molecular FormulaC21H26ClN3O4S
Molecular Weight451.98 g/mol
Exact Mass451.13
IUPAC Name2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCNC(=O)Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H26ClN3O4S/c1-29-19-6-8-20(9-7-19)30(27,28)25-14-12-24(13-15-25)11-10-23-21(26)16-17-2-4-18(22)5-3-17/h2-9H,10-16H2,1H3,(H,23,26)
InChIKeyRBMZEQYVDPRHGE-UHFFFAOYSA-N
XLogP2.01
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.98
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide (CID 18571787) is 2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide is COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide?
The InChIKey is RBMZEQYVDPRHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4S/c1-29-19-6-8-20(9-7-19)30(27,28)25-14-12-24(13-15-25)11-10-23-21(26)16-17-2-4-18(22)5-3-17/h2-9H,10-16H2,1H3,(H,23,26).
What are the key properties of 2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide has a molecular weight of 451.98 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 18571787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).