N-[(3-methoxyphenyl)methyl]-3-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]propanamide

C25H31N3O4S — CID 24792778

IUPACN-[(3-methoxyphenyl)methyl]-3-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]propanamide
SMILESCOc1cccc(CNC(=O)CCn2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)c1
InChIInChI=1S/C25H31N3O4S/c1-19-8-14-28(15-9-19)33(30,31)23-6-7-24-21(17-23)10-12-27(24)13-11-25(29)26-18-20-4-3-5-22(16-20)32-2/h3-7,10,12,16-17,19H,8-9,11,13-15,18H2,1-2H3,(H,26,29)
InChIKeyXUDWERKNCSJURX-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.78
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-3-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]propanamide

N-[(3-methoxyphenyl)methyl]-3-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]propanamide (PubChem CID 24792778) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]propanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]propanamide
PubChem CID24792778
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]propanamide
SMILESCOc1cccc(CNC(=O)CCn2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)c1
InChIInChI=1S/C25H31N3O4S/c1-19-8-14-28(15-9-19)33(30,31)23-6-7-24-21(17-23)10-12-27(24)13-11-25(29)26-18-20-4-3-5-22(16-20)32-2/h3-7,10,12,16-17,19H,8-9,11,13-15,18H2,1-2H3,(H,26,29)
InChIKeyXUDWERKNCSJURX-UHFFFAOYSA-N
XLogP3.78
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]propanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]propanamide (CID 24792778) is N-[(3-methoxyphenyl)methyl]-3-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]propanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]propanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]propanamide is COc1cccc(CNC(=O)CCn2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]propanamide?
The InChIKey is XUDWERKNCSJURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-19-8-14-28(15-9-19)33(30,31)23-6-7-24-21(17-23)10-12-27(24)13-11-25(29)26-18-20-4-3-5-22(16-20)32-2/h3-7,10,12,16-17,19H,8-9,11,13-15,18H2,1-2H3,(H,26,29).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]propanamide?
N-[(3-methoxyphenyl)methyl]-3-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]propanamide has a molecular weight of 469.61 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]propanamide is sourced from PubChem (CID 24792778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).