[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-morpholin-4-ylmethanone

C23H32N4O5S — CID 20945555

IUPAC[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2c(C(=O)N3CCOCC3)c(C)n(C)c2C)CC1
InChIInChI=1S/C23H32N4O5S/c1-17-21(23(28)26-13-15-32-16-14-26)22(18(2)24(17)3)33(29,30)27-11-9-25(10-12-27)19-7-5-6-8-20(19)31-4/h5-8H,9-16H2,1-4H3
InChIKeyNMUXWJFGRQDIFG-UHFFFAOYSA-N
MW476.60 g/mol
LogP1.63
Rot. Bonds5

About [4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-morpholin-4-ylmethanone

[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-morpholin-4-ylmethanone (PubChem CID 20945555) has the molecular formula C23H32N4O5S and a molecular weight of 476.60 g/mol. Its IUPAC name is [4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-morpholin-4-ylmethanone
PubChem CID20945555
Molecular FormulaC23H32N4O5S
Molecular Weight476.60 g/mol
Exact Mass476.21
IUPAC Name[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2c(C(=O)N3CCOCC3)c(C)n(C)c2C)CC1
InChIInChI=1S/C23H32N4O5S/c1-17-21(23(28)26-13-15-32-16-14-26)22(18(2)24(17)3)33(29,30)27-11-9-25(10-12-27)19-7-5-6-8-20(19)31-4/h5-8H,9-16H2,1-4H3
InChIKeyNMUXWJFGRQDIFG-UHFFFAOYSA-N
XLogP1.63
TPSA84.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-morpholin-4-ylmethanone (CID 20945555) is [4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-morpholin-4-ylmethanone is COc1ccccc1N1CCN(S(=O)(=O)c2c(C(=O)N3CCOCC3)c(C)n(C)c2C)CC1.
What is the InChIKey of [4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is NMUXWJFGRQDIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5S/c1-17-21(23(28)26-13-15-32-16-14-26)22(18(2)24(17)3)33(29,30)27-11-9-25(10-12-27)19-7-5-6-8-20(19)31-4/h5-8H,9-16H2,1-4H3.
What are the key properties of [4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-morpholin-4-ylmethanone?
[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 476.60 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 20945555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).