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

C14H22INOS — CID 79693520

IUPAC5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1csc(I)c1
InChIInChI=1S/C14H22INOS/c1-5-12(6-2)16(8-10(3)4)14(17)11-7-13(15)18-9-11/h7,9-10,12H,5-6,8H2,1-4H3
InChIKeyLYYDCAOLOFBHJB-UHFFFAOYSA-N
MW379.31 g/mol
LogP4.64
Rot. Bonds6

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

5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide (PubChem CID 79693520) has the molecular formula C14H22INOS and a molecular weight of 379.31 g/mol. Its IUPAC name is 5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide
PubChem CID79693520
Molecular FormulaC14H22INOS
Molecular Weight379.31 g/mol
Exact Mass379.05
IUPAC Name5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1csc(I)c1
InChIInChI=1S/C14H22INOS/c1-5-12(6-2)16(8-10(3)4)14(17)11-7-13(15)18-9-11/h7,9-10,12H,5-6,8H2,1-4H3
InChIKeyLYYDCAOLOFBHJB-UHFFFAOYSA-N
XLogP4.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide
CID 79690111
5-iodo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 79693779
4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79490314
2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid
CID 79685739
5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide
CID 78948411
N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide
CID 104556113
2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 79483241
3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79483264
5-iodo-N,N-dipropylthiophene-3-carboxamide
CID 78948915
4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride
CID 119816015
6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79484236
methyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate
CID 78950585

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide (CID 79693520) is 5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide is CCC(CC)N(CC(C)C)C(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide?
The InChIKey is LYYDCAOLOFBHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22INOS/c1-5-12(6-2)16(8-10(3)4)14(17)11-7-13(15)18-9-11/h7,9-10,12H,5-6,8H2,1-4H3.
What are the key properties of 5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide?
5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide has a molecular weight of 379.31 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide is sourced from PubChem (CID 79693520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).