[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium

C20H28N3O2S+ — CID 8804522

IUPAC[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C[NH+](C)Cc2sccc2C)c1
InChIInChI=1S/C20H27N3O2S/c1-5-23(6-2)20(25)16-8-7-9-17(12-16)21-19(24)14-22(4)13-18-15(3)10-11-26-18/h7-12H,5-6,13-14H2,1-4H3,(H,21,24)/p+1
InChIKeyDDNWLXIWKIVNOF-UHFFFAOYSA-O
MW374.53 g/mol
LogP2.19
Rot. Bonds8

About [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium

[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium (PubChem CID 8804522) has the molecular formula C20H28N3O2S+ and a molecular weight of 374.53 g/mol. Its IUPAC name is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
PubChem CID8804522
Molecular FormulaC20H28N3O2S+
Molecular Weight374.53 g/mol
Exact Mass374.19
IUPAC Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C[NH+](C)Cc2sccc2C)c1
InChIInChI=1S/C20H27N3O2S/c1-5-23(6-2)20(25)16-8-7-9-17(12-16)21-19(24)14-22(4)13-18-15(3)10-11-26-18/h7-12H,5-6,13-14H2,1-4H3,(H,21,24)/p+1
InChIKeyDDNWLXIWKIVNOF-UHFFFAOYSA-O
XLogP2.19
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 8695747
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 9433890
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 8620955
methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium
CID 8804558
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8754906
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250391
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 9434136
benzyl-[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
CID 8900908
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26712597

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium?
The IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium (CID 8804522) is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium.
What is the SMILES notation for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium?
The canonical SMILES for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium is CCN(CC)C(=O)c1cccc(NC(=O)C[NH+](C)Cc2sccc2C)c1.
What is the InChIKey of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium?
The InChIKey is DDNWLXIWKIVNOF-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H27N3O2S/c1-5-23(6-2)20(25)16-8-7-9-17(12-16)21-19(24)14-22(4)13-18-15(3)10-11-26-18/h7-12H,5-6,13-14H2,1-4H3,(H,21,24)/p+1.
What are the key properties of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium?
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium has a molecular weight of 374.53 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium is sourced from PubChem (CID 8804522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).