benzene;N-[2-(diethylamino)ethyl]-2-sulfanylacetamide;5-[2-(3-hydroxyphenyl)ethynyl]pyridine-3-carboxamide

C28H34N4O3S — CID 143676016

IUPACbenzene;N-[2-(diethylamino)ethyl]-2-sulfanylacetamide;5-[2-(3-hydroxyphenyl)ethynyl]pyridine-3-carboxamide
SMILESCCN(CC)CCNC(=O)CS.NC(=O)c1cncc(C#Cc2cccc(O)c2)c1.c1ccccc1
InChIInChI=1S/C14H10N2O2.C8H18N2OS.C6H6/c15-14(18)12-6-11(8-16-9-12)5-4-10-2-1-3-13(17)7-10;1-3-10(4-2)6-5-9-8(11)7-12;1-2-4-6-5-3-1/h1-3,6-9,17H,(H2,15,18);12H,3-7H2,1-2H3,(H,9,11);1-6H
InChIKeyANWQNSPCDIXCAU-UHFFFAOYSA-N
MW506.67 g/mol
LogP3.35
Rot. Bonds7

About benzene;N-[2-(diethylamino)ethyl]-2-sulfanylacetamide;5-[2-(3-hydroxyphenyl)ethynyl]pyridine-3-carboxamide

benzene;N-[2-(diethylamino)ethyl]-2-sulfanylacetamide;5-[2-(3-hydroxyphenyl)ethynyl]pyridine-3-carboxamide (PubChem CID 143676016) has the molecular formula C28H34N4O3S and a molecular weight of 506.67 g/mol. Its IUPAC name is benzene;N-[2-(diethylamino)ethyl]-2-sulfanylacetamide;5-[2-(3-hydroxyphenyl)ethynyl]pyridine-3-carboxamide.

Molecular Properties

Compound Namebenzene;N-[2-(diethylamino)ethyl]-2-sulfanylacetamide;5-[2-(3-hydroxyphenyl)ethynyl]pyridine-3-carboxamide
PubChem CID143676016
Molecular FormulaC28H34N4O3S
Molecular Weight506.67 g/mol
Exact Mass506.24
IUPAC Namebenzene;N-[2-(diethylamino)ethyl]-2-sulfanylacetamide;5-[2-(3-hydroxyphenyl)ethynyl]pyridine-3-carboxamide
SMILESCCN(CC)CCNC(=O)CS.NC(=O)c1cncc(C#Cc2cccc(O)c2)c1.c1ccccc1
InChIInChI=1S/C14H10N2O2.C8H18N2OS.C6H6/c15-14(18)12-6-11(8-16-9-12)5-4-10-2-1-3-13(17)7-10;1-3-10(4-2)6-5-9-8(11)7-12;1-2-4-6-5-3-1/h1-3,6-9,17H,(H2,15,18);12H,3-7H2,1-2H3,(H,9,11);1-6H
InChIKeyANWQNSPCDIXCAU-UHFFFAOYSA-N
XLogP3.35
TPSA108.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.67
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze benzene;N-[2-(diethylamino)ethyl]-2-sulfanylacetamide;5-[2-(3-hydroxyphenyl)ethynyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 89050716
CID 89050716
N-[[2-(2-hydroxyethylamino)-2-oxoethyl]-methyl-oxo-λ6-sulfanylidene]-5-[2-(3-hydroxyphenyl)ethynyl]pyridine-3-carboxamide
CID 163541228
2-[N-[5-[2-(3-hydroxyphenyl)ethynyl]pyridine-3-carbonyl]-S-phenylsulfonimidoyl]butanoic acid
CID 87248749
3-[2-(diethylamino)ethylamino]benzamide
CID 107811316
N-[2-(diethylamino)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 110463127
N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide
CID 141064187
N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide
CID 51362720
N-[2-[4-(benzylsulfanylcarbamoyl)anilino]ethyl]-N-ethyl-5-[2-(4-hydroxyphenyl)ethynyl]pyridine-3-carboxamide
CID 167163600
3-(3-hydroxypropylsulfanyl)propan-1-ol;5-[2-[3-[(3-methylbenzoyl)amino]phenyl]ethynyl]pyridine-3-carboxamide
CID 144862914
6-amino-5-[2-(3-hydroxyphenyl)ethynyl]-N-sulfinylpyridine-3-carboxamide
CID 89050722
3-(cyanomethyl)-N-[2-(diethylamino)ethyl]benzamide
CID 82179015
N-[2-(diethylamino)ethyl]-2-(3-methylphenyl)acetamide
CID 17144542

Frequently Asked Questions

What is the IUPAC name of benzene;N-[2-(diethylamino)ethyl]-2-sulfanylacetamide;5-[2-(3-hydroxyphenyl)ethynyl]pyridine-3-carboxamide?
The IUPAC name of benzene;N-[2-(diethylamino)ethyl]-2-sulfanylacetamide;5-[2-(3-hydroxyphenyl)ethynyl]pyridine-3-carboxamide (CID 143676016) is benzene;N-[2-(diethylamino)ethyl]-2-sulfanylacetamide;5-[2-(3-hydroxyphenyl)ethynyl]pyridine-3-carboxamide.
What is the SMILES notation for benzene;N-[2-(diethylamino)ethyl]-2-sulfanylacetamide;5-[2-(3-hydroxyphenyl)ethynyl]pyridine-3-carboxamide?
The canonical SMILES for benzene;N-[2-(diethylamino)ethyl]-2-sulfanylacetamide;5-[2-(3-hydroxyphenyl)ethynyl]pyridine-3-carboxamide is CCN(CC)CCNC(=O)CS.NC(=O)c1cncc(C#Cc2cccc(O)c2)c1.c1ccccc1.
What is the InChIKey of benzene;N-[2-(diethylamino)ethyl]-2-sulfanylacetamide;5-[2-(3-hydroxyphenyl)ethynyl]pyridine-3-carboxamide?
The InChIKey is ANWQNSPCDIXCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2.C8H18N2OS.C6H6/c15-14(18)12-6-11(8-16-9-12)5-4-10-2-1-3-13(17)7-10;1-3-10(4-2)6-5-9-8(11)7-12;1-2-4-6-5-3-1/h1-3,6-9,17H,(H2,15,18);12H,3-7H2,1-2H3,(H,9,11);1-6H.
What are the key properties of benzene;N-[2-(diethylamino)ethyl]-2-sulfanylacetamide;5-[2-(3-hydroxyphenyl)ethynyl]pyridine-3-carboxamide?
benzene;N-[2-(diethylamino)ethyl]-2-sulfanylacetamide;5-[2-(3-hydroxyphenyl)ethynyl]pyridine-3-carboxamide has a molecular weight of 506.67 g/mol, XLogP of 3.35, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-[2-(diethylamino)ethyl]-2-sulfanylacetamide;5-[2-(3-hydroxyphenyl)ethynyl]pyridine-3-carboxamide is sourced from PubChem (CID 143676016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).