N-(2-iodophenyl)-4-thiophen-2-ylbutanamide

C14H14INOS — CID 26087634

IUPACN-(2-iodophenyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1ccccc1I
InChIInChI=1S/C14H14INOS/c15-12-7-1-2-8-13(12)16-14(17)9-3-5-11-6-4-10-18-11/h1-2,4,6-8,10H,3,5,9H2,(H,16,17)
InChIKeyWCVKCVFRDFJCGI-UHFFFAOYSA-N
MW371.24 g/mol
LogP4.31
Rot. Bonds5

About N-(2-iodophenyl)-4-thiophen-2-ylbutanamide

N-(2-iodophenyl)-4-thiophen-2-ylbutanamide (PubChem CID 26087634) has the molecular formula C14H14INOS and a molecular weight of 371.24 g/mol. Its IUPAC name is N-(2-iodophenyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-4-thiophen-2-ylbutanamide
PubChem CID26087634
Molecular FormulaC14H14INOS
Molecular Weight371.24 g/mol
Exact Mass370.98
IUPAC NameN-(2-iodophenyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1ccccc1I
InChIInChI=1S/C14H14INOS/c15-12-7-1-2-8-13(12)16-14(17)9-3-5-11-6-4-10-18-11/h1-2,4,6-8,10H,3,5,9H2,(H,16,17)
InChIKeyWCVKCVFRDFJCGI-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
CID 39969290
N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide
CID 78770266
4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
CID 78781844
N-(3-iodophenyl)-4-thiophen-2-ylbutanamide
CID 7688853
N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-thiophen-2-ylbutanamide
CID 56826258
N-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide
CID 103753352
N-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide
CID 167851976
N-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide
CID 82707214
N-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide
CID 125136014
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-4-thiophen-2-ylbutanamide
CID 80548121
N-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide
CID 134698261
N-(2-iodophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31480058

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(2-iodophenyl)-4-thiophen-2-ylbutanamide (CID 26087634) is N-(2-iodophenyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(2-iodophenyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(2-iodophenyl)-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-4-thiophen-2-ylbutanamide?
The InChIKey is WCVKCVFRDFJCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INOS/c15-12-7-1-2-8-13(12)16-14(17)9-3-5-11-6-4-10-18-11/h1-2,4,6-8,10H,3,5,9H2,(H,16,17).
What are the key properties of N-(2-iodophenyl)-4-thiophen-2-ylbutanamide?
N-(2-iodophenyl)-4-thiophen-2-ylbutanamide has a molecular weight of 371.24 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 26087634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).