N-[2-methoxy-5-(6-methoxy-3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine

C23H29N3O4S — CID 71450107

IUPACN-[2-methoxy-5-(6-methoxy-3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
SMILESCOc1ccc2c(C)cn(S(=O)(=O)c3ccc(OC)c(NC4CCN(C)CC4)c3)c2c1
InChIInChI=1S/C23H29N3O4S/c1-16-15-26(22-13-18(29-3)5-7-20(16)22)31(27,28)19-6-8-23(30-4)21(14-19)24-17-9-11-25(2)12-10-17/h5-8,13-15,17,24H,9-12H2,1-4H3
InChIKeyRXFRUGMTZDFIIV-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.71
Rot. Bonds6

About N-[2-methoxy-5-(6-methoxy-3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine

N-[2-methoxy-5-(6-methoxy-3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine (PubChem CID 71450107) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[2-methoxy-5-(6-methoxy-3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-methoxy-5-(6-methoxy-3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
PubChem CID71450107
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[2-methoxy-5-(6-methoxy-3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
SMILESCOc1ccc2c(C)cn(S(=O)(=O)c3ccc(OC)c(NC4CCN(C)CC4)c3)c2c1
InChIInChI=1S/C23H29N3O4S/c1-16-15-26(22-13-18(29-3)5-7-20(16)22)31(27,28)19-6-8-23(30-4)21(14-19)24-17-9-11-25(2)12-10-17/h5-8,13-15,17,24H,9-12H2,1-4H3
InChIKeyRXFRUGMTZDFIIV-UHFFFAOYSA-N
XLogP3.71
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(6-methoxy-3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[2-methoxy-5-(6-methoxy-3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine (CID 71450107) is N-[2-methoxy-5-(6-methoxy-3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-methoxy-5-(6-methoxy-3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[2-methoxy-5-(6-methoxy-3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine is COc1ccc2c(C)cn(S(=O)(=O)c3ccc(OC)c(NC4CCN(C)CC4)c3)c2c1.
What is the InChIKey of N-[2-methoxy-5-(6-methoxy-3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine?
The InChIKey is RXFRUGMTZDFIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-16-15-26(22-13-18(29-3)5-7-20(16)22)31(27,28)19-6-8-23(30-4)21(14-19)24-17-9-11-25(2)12-10-17/h5-8,13-15,17,24H,9-12H2,1-4H3.
What are the key properties of N-[2-methoxy-5-(6-methoxy-3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine?
N-[2-methoxy-5-(6-methoxy-3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine has a molecular weight of 443.57 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(6-methoxy-3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 71450107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).