N-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide

C22H29N3O4S — CID 3239410

IUPACN-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1
InChIInChI=1S/C22H29N3O4S/c1-17(2)18-7-9-21(10-8-18)30(27,28)25-13-11-24(12-14-25)16-22(26)23-19-5-4-6-20(15-19)29-3/h4-10,15,17H,11-14,16H2,1-3H3,(H,23,26)
InChIKeyYUCRWFNHSPAFNJ-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.76
Rot. Bonds7

About N-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide

N-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 3239410) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID3239410
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1
InChIInChI=1S/C22H29N3O4S/c1-17(2)18-7-9-21(10-8-18)30(27,28)25-13-11-24(12-14-25)16-22(26)23-19-5-4-6-20(15-19)29-3/h4-10,15,17H,11-14,16H2,1-3H3,(H,23,26)
InChIKeyYUCRWFNHSPAFNJ-UHFFFAOYSA-N
XLogP2.76
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 3239410) is N-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide is COc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is YUCRWFNHSPAFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-17(2)18-7-9-21(10-8-18)30(27,28)25-13-11-24(12-14-25)16-22(26)23-19-5-4-6-20(15-19)29-3/h4-10,15,17H,11-14,16H2,1-3H3,(H,23,26).
What are the key properties of N-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 431.56 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 3239410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).