N-[2-(dimethylamino)ethyl]-5-iodo-N-[(5-methylfuran-2-yl)methyl]thiophene-3-carboxamide

C15H19IN2O2S — CID 78949596

IUPACN-[2-(dimethylamino)ethyl]-5-iodo-N-[(5-methylfuran-2-yl)methyl]thiophene-3-carboxamide
SMILESCc1ccc(CN(CCN(C)C)C(=O)c2csc(I)c2)o1
InChIInChI=1S/C15H19IN2O2S/c1-11-4-5-13(20-11)9-18(7-6-17(2)3)15(19)12-8-14(16)21-10-12/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyYAZHFXFOUGUXRP-UHFFFAOYSA-N
MW418.30 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-5-iodo-N-[(5-methylfuran-2-yl)methyl]thiophene-3-carboxamide

N-[2-(dimethylamino)ethyl]-5-iodo-N-[(5-methylfuran-2-yl)methyl]thiophene-3-carboxamide (PubChem CID 78949596) has the molecular formula C15H19IN2O2S and a molecular weight of 418.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-iodo-N-[(5-methylfuran-2-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-iodo-N-[(5-methylfuran-2-yl)methyl]thiophene-3-carboxamide
PubChem CID78949596
Molecular FormulaC15H19IN2O2S
Molecular Weight418.30 g/mol
Exact Mass418.02
IUPAC NameN-[2-(dimethylamino)ethyl]-5-iodo-N-[(5-methylfuran-2-yl)methyl]thiophene-3-carboxamide
SMILESCc1ccc(CN(CCN(C)C)C(=O)c2csc(I)c2)o1
InChIInChI=1S/C15H19IN2O2S/c1-11-4-5-13(20-11)9-18(7-6-17(2)3)15(19)12-8-14(16)21-10-12/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyYAZHFXFOUGUXRP-UHFFFAOYSA-N
XLogP3.46
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 54873875
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 64593210
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 52726689
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 54875839
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-5-nitrofuran-2-carboxamide
CID 60558279
4-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 63307969
N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide
CID 104859489
5-iodo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]thiophene-3-carboxamide
CID 78949487
N-[(2-aminophenyl)methyl]-5-iodo-N-propylthiophene-3-carboxamide
CID 79685730
(2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 107569062
5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]thiophene-3-carboxamide
CID 72889827
N-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide
CID 102993520

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-iodo-N-[(5-methylfuran-2-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-iodo-N-[(5-methylfuran-2-yl)methyl]thiophene-3-carboxamide (CID 78949596) is N-[2-(dimethylamino)ethyl]-5-iodo-N-[(5-methylfuran-2-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-iodo-N-[(5-methylfuran-2-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-iodo-N-[(5-methylfuran-2-yl)methyl]thiophene-3-carboxamide is Cc1ccc(CN(CCN(C)C)C(=O)c2csc(I)c2)o1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-iodo-N-[(5-methylfuran-2-yl)methyl]thiophene-3-carboxamide?
The InChIKey is YAZHFXFOUGUXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O2S/c1-11-4-5-13(20-11)9-18(7-6-17(2)3)15(19)12-8-14(16)21-10-12/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-5-iodo-N-[(5-methylfuran-2-yl)methyl]thiophene-3-carboxamide?
N-[2-(dimethylamino)ethyl]-5-iodo-N-[(5-methylfuran-2-yl)methyl]thiophene-3-carboxamide has a molecular weight of 418.30 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-iodo-N-[(5-methylfuran-2-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 78949596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).