N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide

C18H29N3O4S — CID 122161796

IUPACN-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)cc1
InChIInChI=1S/C18H29N3O4S/c1-20(2)26(23,24)21-12-10-16(11-13-21)14-19-18(22)9-6-15-4-7-17(25-3)8-5-15/h4-5,7-8,16H,6,9-14H2,1-3H3,(H,19,22)
InChIKeyPJMJMPQKODUBBU-UHFFFAOYSA-N
MW383.51 g/mol
LogP1.26
Rot. Bonds8

About N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide

N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 122161796) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID122161796
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC NameN-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)cc1
InChIInChI=1S/C18H29N3O4S/c1-20(2)26(23,24)21-12-10-16(11-13-21)14-19-18(22)9-6-15-4-7-17(25-3)8-5-15/h4-5,7-8,16H,6,9-14H2,1-3H3,(H,19,22)
InChIKeyPJMJMPQKODUBBU-UHFFFAOYSA-N
XLogP1.26
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bromophenyl)-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]propanamide
CID 126853012
N-[(4-bromocyclohexyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 106134334
3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 46402981
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3,5-dimethoxybenzamide
CID 146079084
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 122161831
4-(dimethylsulfamoyl)-N-[(6-methoxynaphthalen-2-yl)methyl]piperazine-1-carboxamide
CID 33387816
3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide
CID 60599829
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
N,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide
CID 119103247
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 42987404
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
3-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 110737506

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide (CID 122161796) is N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)cc1.
What is the InChIKey of N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is PJMJMPQKODUBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-20(2)26(23,24)21-12-10-16(11-13-21)14-19-18(22)9-6-15-4-7-17(25-3)8-5-15/h4-5,7-8,16H,6,9-14H2,1-3H3,(H,19,22).
What are the key properties of N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide?
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 383.51 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 122161796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).