N-[11-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]undecyl]-N-methylpropane-1-sulfonamide

C32H48N2O4S — CID 15285893

IUPACN-[11-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]undecyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCCCCCCCCCCn1c(-c2ccc(OC)cc2)c(C)c2cc(OC)ccc21
InChIInChI=1S/C32H48N2O4S/c1-6-24-39(35,36)33(3)22-14-12-10-8-7-9-11-13-15-23-34-31-21-20-29(38-5)25-30(31)26(2)32(34)27-16-18-28(37-4)19-17-27/h16-21,25H,6-15,22-24H2,1-5H3
InChIKeyRMLHTGXIFNTMNT-UHFFFAOYSA-N
MW556.81 g/mol
LogP7.82
Rot. Bonds18

About N-[11-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]undecyl]-N-methylpropane-1-sulfonamide

N-[11-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]undecyl]-N-methylpropane-1-sulfonamide (PubChem CID 15285893) has the molecular formula C32H48N2O4S and a molecular weight of 556.81 g/mol. Its IUPAC name is N-[11-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]undecyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[11-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]undecyl]-N-methylpropane-1-sulfonamide
PubChem CID15285893
Molecular FormulaC32H48N2O4S
Molecular Weight556.81 g/mol
Exact Mass556.33
IUPAC NameN-[11-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]undecyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCCCCCCCCCCn1c(-c2ccc(OC)cc2)c(C)c2cc(OC)ccc21
InChIInChI=1S/C32H48N2O4S/c1-6-24-39(35,36)33(3)22-14-12-10-8-7-9-11-13-15-23-34-31-21-20-29(38-5)25-30(31)26(2)32(34)27-16-18-28(37-4)19-17-27/h16-21,25H,6-15,22-24H2,1-5H3
InChIKeyRMLHTGXIFNTMNT-UHFFFAOYSA-N
XLogP7.82
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.81
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[11-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]undecyl]-N-methyl-1-phenylmethanesulfonamide
CID 15285894
3-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]propyl methanesulfonate
CID 139615904
5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole
CID 54515191
5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole
CID 15925637
2-[4-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]butyl]isoindole-1,3-dione
CID 14873552
ethyl 2-[2-(4-methoxyphenyl)-3-methyl-1-propylindol-5-yl]oxy-2-methylpropanoate
CID 54530257
5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(8-pyridin-2-ylsulfanyloctyl)indole
CID 18679830
6-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 14873569
1-(6-bromohexyl)-2-(4-methoxyphenyl)-3-methylindole
CID 15925636
N-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 143184513
6-[5-methoxy-3-methyl-2-(4-phenylsulfanylphenyl)indol-1-yl]-1-pyrrolidin-1-ylhexan-1-one
CID 22079874
ethyl 2-[4-[[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]methyl]phenoxy]acetate
CID 54419601

Frequently Asked Questions

What is the IUPAC name of N-[11-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]undecyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[11-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]undecyl]-N-methylpropane-1-sulfonamide (CID 15285893) is N-[11-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]undecyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[11-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]undecyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[11-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]undecyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)CCCCCCCCCCCn1c(-c2ccc(OC)cc2)c(C)c2cc(OC)ccc21.
What is the InChIKey of N-[11-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]undecyl]-N-methylpropane-1-sulfonamide?
The InChIKey is RMLHTGXIFNTMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N2O4S/c1-6-24-39(35,36)33(3)22-14-12-10-8-7-9-11-13-15-23-34-31-21-20-29(38-5)25-30(31)26(2)32(34)27-16-18-28(37-4)19-17-27/h16-21,25H,6-15,22-24H2,1-5H3.
What are the key properties of N-[11-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]undecyl]-N-methylpropane-1-sulfonamide?
N-[11-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]undecyl]-N-methylpropane-1-sulfonamide has a molecular weight of 556.81 g/mol, XLogP of 7.82, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[11-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]undecyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 15285893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).