N-(2-aminoethyl)-4-cyano-3-(2,4-dichlorophenyl)-5-iodothiophene-2-carboxamide

C14H10Cl2IN3OS — CID 66855620

IUPACN-(2-aminoethyl)-4-cyano-3-(2,4-dichlorophenyl)-5-iodothiophene-2-carboxamide
SMILESN#Cc1c(I)sc(C(=O)NCCN)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2IN3OS/c15-7-1-2-8(10(16)5-7)11-9(6-19)13(17)22-12(11)14(21)20-4-3-18/h1-2,5H,3-4,18H2,(H,20,21)
InChIKeyLEWNLIAJBUZUCA-UHFFFAOYSA-N
MW466.13 g/mol
LogP3.89
Rot. Bonds4

About N-(2-aminoethyl)-4-cyano-3-(2,4-dichlorophenyl)-5-iodothiophene-2-carboxamide

N-(2-aminoethyl)-4-cyano-3-(2,4-dichlorophenyl)-5-iodothiophene-2-carboxamide (PubChem CID 66855620) has the molecular formula C14H10Cl2IN3OS and a molecular weight of 466.13 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-cyano-3-(2,4-dichlorophenyl)-5-iodothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-cyano-3-(2,4-dichlorophenyl)-5-iodothiophene-2-carboxamide
PubChem CID66855620
Molecular FormulaC14H10Cl2IN3OS
Molecular Weight466.13 g/mol
Exact Mass464.90
IUPAC NameN-(2-aminoethyl)-4-cyano-3-(2,4-dichlorophenyl)-5-iodothiophene-2-carboxamide
SMILESN#Cc1c(I)sc(C(=O)NCCN)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2IN3OS/c15-7-1-2-8(10(16)5-7)11-9(6-19)13(17)22-12(11)14(21)20-4-3-18/h1-2,5H,3-4,18H2,(H,20,21)
InChIKeyLEWNLIAJBUZUCA-UHFFFAOYSA-N
XLogP3.89
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.13
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carboxamide
CID 59249988
3-(2-chloro-4-methylphenyl)-4-cyano-N-(2-hydroxyethyl)-5-morpholin-4-ylthiophene-2-carboxamide
CID 143838341
CID 89121331
CID 89121331
5-(2-bromoacetyl)-4-(2,4-dichlorophenyl)-2-morpholin-4-ylthiophene-3-carbonitrile
CID 86640157
1-[4-cyano-3-(2,4-dichlorophenyl)-5-morpholin-4-ylthiophen-2-yl]-1-(2-hydroxyethyl)urea
CID 68639607
5-(6-aminopyrimidin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide
CID 70839232
4-cyano-3-(2,4-dichlorophenyl)-5-(2-fluoro-4-pyridinyl)thiophene-2-carboxamide
CID 46866575
5-(2-amino-3,4-dihydropyridin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide
CID 70864998
5-[[3-cyano-4-(2,4-dichlorophenyl)-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid
CID 3357191
ethyl 4-cyano-3-(2,4-dichlorophenyl)-5-[(2,4-dimethoxyphenyl)methylamino]thiophene-2-carboxylate
CID 59250029
3-(2,4-dichlorophenyl)-4-isocyano-N-(2-methoxyethyl)-5-morpholin-4-ylthiophene-2-carboxamide
CID 58022909
2-(2,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 59337760

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-cyano-3-(2,4-dichlorophenyl)-5-iodothiophene-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-cyano-3-(2,4-dichlorophenyl)-5-iodothiophene-2-carboxamide (CID 66855620) is N-(2-aminoethyl)-4-cyano-3-(2,4-dichlorophenyl)-5-iodothiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-cyano-3-(2,4-dichlorophenyl)-5-iodothiophene-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-cyano-3-(2,4-dichlorophenyl)-5-iodothiophene-2-carboxamide is N#Cc1c(I)sc(C(=O)NCCN)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2-aminoethyl)-4-cyano-3-(2,4-dichlorophenyl)-5-iodothiophene-2-carboxamide?
The InChIKey is LEWNLIAJBUZUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2IN3OS/c15-7-1-2-8(10(16)5-7)11-9(6-19)13(17)22-12(11)14(21)20-4-3-18/h1-2,5H,3-4,18H2,(H,20,21).
What are the key properties of N-(2-aminoethyl)-4-cyano-3-(2,4-dichlorophenyl)-5-iodothiophene-2-carboxamide?
N-(2-aminoethyl)-4-cyano-3-(2,4-dichlorophenyl)-5-iodothiophene-2-carboxamide has a molecular weight of 466.13 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-cyano-3-(2,4-dichlorophenyl)-5-iodothiophene-2-carboxamide is sourced from PubChem (CID 66855620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).