N-[(4-sulfamoylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

C19H24N2O6S — CID 2684671

IUPACN-[(4-sulfamoylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O6S/c1-25-16-10-14(11-17(26-2)19(16)27-3)6-9-18(22)21-12-13-4-7-15(8-5-13)28(20,23)24/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,21,22)(H2,20,23,24)
InChIKeyYXUZCIJXBRDTIB-UHFFFAOYSA-N
MW408.48 g/mol
LogP1.61
Rot. Bonds9

About N-[(4-sulfamoylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[(4-sulfamoylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 2684671) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID2684671
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC NameN-[(4-sulfamoylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O6S/c1-25-16-10-14(11-17(26-2)19(16)27-3)6-9-18(22)21-12-13-4-7-15(8-5-13)28(20,23)24/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,21,22)(H2,20,23,24)
InChIKeyYXUZCIJXBRDTIB-UHFFFAOYSA-N
XLogP1.61
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-Dimethoxyphenyl)ethyl]-4-Sulfamoylbenzamide
CID 21806575
2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2496330
2-(4-methoxyphenyl)-N-(4-sulfamoylbenzyl)acetamide
CID 4578038
4-{2-[(3,4-Dimethoxybenzyl)amino]ethyl}benzenesulfonamide
CID 4722332
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71449440
3-{4-[(isopropylamino)sulfonyl]phenyl}-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 1006951
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
CID 1077690
N-Benzo[1,3]dioxol-5-ylmethyl-3-(4-tert-butylsulfamoyl-phenyl)-propionamide
CID 1090606
4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1179288
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 2230238
N-[4-(dimethylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2672892
1-[4-(3,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 2999828

Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 2684671) is N-[(4-sulfamoylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is YXUZCIJXBRDTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-25-16-10-14(11-17(26-2)19(16)27-3)6-9-18(22)21-12-13-4-7-15(8-5-13)28(20,23)24/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,21,22)(H2,20,23,24).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[(4-sulfamoylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 408.48 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 2684671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).