N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide

C11H16INO2S — CID 79693867

IUPACN-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1csc(I)c1
InChIInChI=1S/C11H16INO2S/c1-8(2)13(4-3-5-14)11(15)9-6-10(12)16-7-9/h6-8,14H,3-5H2,1-2H3
InChIKeyLWUWXRMAXWZKPL-UHFFFAOYSA-N
MW353.23 g/mol
LogP2.59
Rot. Bonds5

About N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide

N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide (PubChem CID 79693867) has the molecular formula C11H16INO2S and a molecular weight of 353.23 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide
PubChem CID79693867
Molecular FormulaC11H16INO2S
Molecular Weight353.23 g/mol
Exact Mass352.99
IUPAC NameN-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1csc(I)c1
InChIInChI=1S/C11H16INO2S/c1-8(2)13(4-3-5-14)11(15)9-6-10(12)16-7-9/h6-8,14H,3-5H2,1-2H3
InChIKeyLWUWXRMAXWZKPL-UHFFFAOYSA-N
XLogP2.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid
CID 79685739
N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide
CID 61040122
3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54917139
5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79693520
5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide
CID 78948411
N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide
CID 61039022
N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide
CID 79690111
4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 63186164
3-amino-4-bromo-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61140432
N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide
CID 104556113
4-carbamothioyl-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54999256
3-[4-[2-hydroxyethyl(propan-2-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79691743

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide (CID 79693867) is N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide is CC(C)N(CCCO)C(=O)c1csc(I)c1.
What is the InChIKey of N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide?
The InChIKey is LWUWXRMAXWZKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO2S/c1-8(2)13(4-3-5-14)11(15)9-6-10(12)16-7-9/h6-8,14H,3-5H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide?
N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide has a molecular weight of 353.23 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 79693867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).