N-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide

C14H23IN2OS — CID 102993520

IUPACN-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide
SMILESCCN(CC)CCCN(CC)C(=O)c1csc(I)c1
InChIInChI=1S/C14H23IN2OS/c1-4-16(5-2)8-7-9-17(6-3)14(18)12-10-13(15)19-11-12/h10-11H,4-9H2,1-3H3
InChIKeyKPPQDDSGQSOMFN-UHFFFAOYSA-N
MW394.32 g/mol
LogP3.55
Rot. Bonds8

About N-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide

N-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide (PubChem CID 102993520) has the molecular formula C14H23IN2OS and a molecular weight of 394.32 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide
PubChem CID102993520
Molecular FormulaC14H23IN2OS
Molecular Weight394.32 g/mol
Exact Mass394.06
IUPAC NameN-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide
SMILESCCN(CC)CCCN(CC)C(=O)c1csc(I)c1
InChIInChI=1S/C14H23IN2OS/c1-4-16(5-2)8-7-9-17(6-3)14(18)12-10-13(15)19-11-12/h10-11H,4-9H2,1-3H3
InChIKeyKPPQDDSGQSOMFN-UHFFFAOYSA-N
XLogP3.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-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

5-iodo-N,N-dipropylthiophene-3-carboxamide
CID 78948915
N-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide
CID 78948452
N-(cyanomethyl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948475
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 79683911
5-iodo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78948563
5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
CID 115771703
N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 79720840
N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948757
N-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 81482711
N-[3-(diethylamino)propyl]-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 102993953
N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide
CID 104556113
N-cyclopentyl-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948393

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide (CID 102993520) is N-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide is CCN(CC)CCCN(CC)C(=O)c1csc(I)c1.
What is the InChIKey of N-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide?
The InChIKey is KPPQDDSGQSOMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IN2OS/c1-4-16(5-2)8-7-9-17(6-3)14(18)12-10-13(15)19-11-12/h10-11H,4-9H2,1-3H3.
What are the key properties of N-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide?
N-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide has a molecular weight of 394.32 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-N-ethyl-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 102993520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).