methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium

C18H24N3O2S+ — CID 9125100

IUPACmethyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium
SMILESCNC(=O)c1ccc(C[NH+](C)CC(=O)N(C)Cc2ccsc2)cc1
InChIInChI=1S/C18H23N3O2S/c1-19-18(23)16-6-4-14(5-7-16)10-20(2)12-17(22)21(3)11-15-8-9-24-13-15/h4-9,13H,10-12H2,1-3H3,(H,19,23)/p+1
InChIKeyLPVMWBUHSLPLLV-UHFFFAOYSA-O
MW346.48 g/mol
LogP0.78
Rot. Bonds7

About methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium

methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium (PubChem CID 9125100) has the molecular formula C18H24N3O2S+ and a molecular weight of 346.48 g/mol. Its IUPAC name is methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Namemethyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium
PubChem CID9125100
Molecular FormulaC18H24N3O2S+
Molecular Weight346.48 g/mol
Exact Mass346.16
IUPAC Namemethyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium
SMILESCNC(=O)c1ccc(C[NH+](C)CC(=O)N(C)Cc2ccsc2)cc1
InChIInChI=1S/C18H23N3O2S/c1-19-18(23)16-6-4-14(5-7-16)10-20(2)12-17(22)21(3)11-15-8-9-24-13-15/h4-9,13H,10-12H2,1-3H3,(H,19,23)/p+1
InChIKeyLPVMWBUHSLPLLV-UHFFFAOYSA-O
XLogP0.78
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9125465
methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8913745
[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124286
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium
CID 8552998
N-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide
CID 38397536
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-(2-methylpropylamino)-2-oxoethyl]azanium
CID 9123060
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9125699
(4-tert-butylphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9123291
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 60685569
4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-4-oxobutanoic acid
CID 60699252
N-methyl-4-[[methyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]benzamide
CID 8967841
2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 110868986

Frequently Asked Questions

What is the IUPAC name of methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium?
The IUPAC name of methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium (CID 9125100) is methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium.
What is the SMILES notation for methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium?
The canonical SMILES for methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium is CNC(=O)c1ccc(C[NH+](C)CC(=O)N(C)Cc2ccsc2)cc1.
What is the InChIKey of methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium?
The InChIKey is LPVMWBUHSLPLLV-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23N3O2S/c1-19-18(23)16-6-4-14(5-7-16)10-20(2)12-17(22)21(3)11-15-8-9-24-13-15/h4-9,13H,10-12H2,1-3H3,(H,19,23)/p+1.
What are the key properties of methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium?
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium has a molecular weight of 346.48 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 9125100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).