N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide

C23H31N3O4S — CID 17320775

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C23H31N3O4S/c1-4-7-18(2)23(27)24-19-10-12-20(13-11-19)31(28,29)26-16-14-25(15-17-26)21-8-5-6-9-22(21)30-3/h5-6,8-13,18H,4,7,14-17H2,1-3H3,(H,24,27)
InChIKeySBDXROWWFRKXIO-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.58
Rot. Bonds8

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide (PubChem CID 17320775) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide
PubChem CID17320775
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C23H31N3O4S/c1-4-7-18(2)23(27)24-19-10-12-20(13-11-19)31(28,29)26-16-14-25(15-17-26)21-8-5-6-9-22(21)30-3/h5-6,8-13,18H,4,7,14-17H2,1-3H3,(H,24,27)
InChIKeySBDXROWWFRKXIO-UHFFFAOYSA-N
XLogP3.58
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 41093278
3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide
CID 17321608
2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide
CID 17321166
2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17319627
1-(2-ethylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17120527
2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 17320534
2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 17320520
3,4,5-trimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17320426
N-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine
CID 71040307
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-3,5-dinitrobenzamide
CID 17319594
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869
2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide
CID 17321010

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide (CID 17320775) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide is CCCC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide?
The InChIKey is SBDXROWWFRKXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-4-7-18(2)23(27)24-19-10-12-20(13-11-19)31(28,29)26-16-14-25(15-17-26)21-8-5-6-9-22(21)30-3/h5-6,8-13,18H,4,7,14-17H2,1-3H3,(H,24,27).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide has a molecular weight of 445.59 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide is sourced from PubChem (CID 17320775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).