N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide

C12H17ClINOS — CID 79690111

IUPACN-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide
SMILESCCC(CC)N(CCCl)C(=O)c1csc(I)c1
InChIInChI=1S/C12H17ClINOS/c1-3-10(4-2)15(6-5-13)12(16)9-7-11(14)17-8-9/h7-8,10H,3-6H2,1-2H3
InChIKeyXWUGWNDDKRODLA-UHFFFAOYSA-N
MW385.70 g/mol
LogP4.22
Rot. Bonds6

About N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide

N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide (PubChem CID 79690111) has the molecular formula C12H17ClINOS and a molecular weight of 385.70 g/mol. Its IUPAC name is N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide
PubChem CID79690111
Molecular FormulaC12H17ClINOS
Molecular Weight385.70 g/mol
Exact Mass384.98
IUPAC NameN-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide
SMILESCCC(CC)N(CCCl)C(=O)c1csc(I)c1
InChIInChI=1S/C12H17ClINOS/c1-3-10(4-2)15(6-5-13)12(16)9-7-11(14)17-8-9/h7-8,10H,3-6H2,1-2H3
InChIKeyXWUGWNDDKRODLA-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.70
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-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-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79693520
5-iodo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 79693779
3-chloro-N-(2-chloroethyl)-5-methyl-N-pentan-3-ylbenzamide
CID 81325136
5-iodo-N,N-dipropylthiophene-3-carboxamide
CID 78948915
N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 79693867
5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide
CID 78948411
2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid
CID 79685739
3-bromo-N-(2-chloroethyl)-5-fluoro-N-pentan-3-ylbenzamide
CID 55188004
N-(2-chloroethyl)-2-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 65198386
2,5-dichloro-N-(2-chloroethyl)-N-pentan-3-ylbenzamide
CID 63395991
N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide
CID 104556113
N-(2-chloroethyl)-N-pentan-3-yl-3-propan-2-yloxybenzamide
CID 63398302

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide (CID 79690111) is N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide is CCC(CC)N(CCCl)C(=O)c1csc(I)c1.
What is the InChIKey of N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide?
The InChIKey is XWUGWNDDKRODLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClINOS/c1-3-10(4-2)15(6-5-13)12(16)9-7-11(14)17-8-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide?
N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide has a molecular weight of 385.70 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide is sourced from PubChem (CID 79690111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).