diethyl-[2-[[4-[(3-methylthiophene-2-carbonyl)amino]benzoyl]amino]ethyl]azanium

C19H26N3O2S+ — CID 2408819

IUPACdiethyl-[2-[[4-[(3-methylthiophene-2-carbonyl)amino]benzoyl]amino]ethyl]azanium
SMILESCC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2sccc2C)cc1
InChIInChI=1S/C19H25N3O2S/c1-4-22(5-2)12-11-20-18(23)15-6-8-16(9-7-15)21-19(24)17-14(3)10-13-25-17/h6-10,13H,4-5,11-12H2,1-3H3,(H,20,23)(H,21,24)/p+1
InChIKeyDOWHWLATBGTRQS-UHFFFAOYSA-O
MW360.50 g/mol
LogP1.96
Rot. Bonds8

About diethyl-[2-[[4-[(3-methylthiophene-2-carbonyl)amino]benzoyl]amino]ethyl]azanium

diethyl-[2-[[4-[(3-methylthiophene-2-carbonyl)amino]benzoyl]amino]ethyl]azanium (PubChem CID 2408819) has the molecular formula C19H26N3O2S+ and a molecular weight of 360.50 g/mol. Its IUPAC name is diethyl-[2-[[4-[(3-methylthiophene-2-carbonyl)amino]benzoyl]amino]ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[[4-[(3-methylthiophene-2-carbonyl)amino]benzoyl]amino]ethyl]azanium
PubChem CID2408819
Molecular FormulaC19H26N3O2S+
Molecular Weight360.50 g/mol
Exact Mass360.17
IUPAC Namediethyl-[2-[[4-[(3-methylthiophene-2-carbonyl)amino]benzoyl]amino]ethyl]azanium
SMILESCC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2sccc2C)cc1
InChIInChI=1S/C19H25N3O2S/c1-4-22(5-2)12-11-20-18(23)15-6-8-16(9-7-15)21-19(24)17-14(3)10-13-25-17/h6-10,13H,4-5,11-12H2,1-3H3,(H,20,23)(H,21,24)/p+1
InChIKeyDOWHWLATBGTRQS-UHFFFAOYSA-O
XLogP1.96
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]ethyl-diethylazanium
CID 7981738
diethyl-[2-[[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]azanium
CID 7972960
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
diethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium
CID 8010632
N-(4-iodophenyl)-3-methylthiophene-2-carboxamide
CID 7927248
N-(4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 26087540
diethyl-[2-[[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoyl]amino]ethyl]azanium
CID 2329735
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319
N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24690358
N-[2-(4-bromoanilino)-2-oxoethyl]-3-methylthiophene-2-carboxamide
CID 47309174
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
diethyl-[2-[[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoyl]amino]ethyl]azanium
CID 2105849

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[[4-[(3-methylthiophene-2-carbonyl)amino]benzoyl]amino]ethyl]azanium?
The IUPAC name of diethyl-[2-[[4-[(3-methylthiophene-2-carbonyl)amino]benzoyl]amino]ethyl]azanium (CID 2408819) is diethyl-[2-[[4-[(3-methylthiophene-2-carbonyl)amino]benzoyl]amino]ethyl]azanium.
What is the SMILES notation for diethyl-[2-[[4-[(3-methylthiophene-2-carbonyl)amino]benzoyl]amino]ethyl]azanium?
The canonical SMILES for diethyl-[2-[[4-[(3-methylthiophene-2-carbonyl)amino]benzoyl]amino]ethyl]azanium is CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2sccc2C)cc1.
What is the InChIKey of diethyl-[2-[[4-[(3-methylthiophene-2-carbonyl)amino]benzoyl]amino]ethyl]azanium?
The InChIKey is DOWHWLATBGTRQS-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25N3O2S/c1-4-22(5-2)12-11-20-18(23)15-6-8-16(9-7-15)21-19(24)17-14(3)10-13-25-17/h6-10,13H,4-5,11-12H2,1-3H3,(H,20,23)(H,21,24)/p+1.
What are the key properties of diethyl-[2-[[4-[(3-methylthiophene-2-carbonyl)amino]benzoyl]amino]ethyl]azanium?
diethyl-[2-[[4-[(3-methylthiophene-2-carbonyl)amino]benzoyl]amino]ethyl]azanium has a molecular weight of 360.50 g/mol, XLogP of 1.96, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[[4-[(3-methylthiophene-2-carbonyl)amino]benzoyl]amino]ethyl]azanium is sourced from PubChem (CID 2408819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).