N-(3-iodophenyl)-4-thiophen-2-ylbutanamide

C14H14INOS — CID 7688853

IUPACN-(3-iodophenyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1cccc(I)c1
InChIInChI=1S/C14H14INOS/c15-11-4-1-5-12(10-11)16-14(17)8-2-6-13-7-3-9-18-13/h1,3-5,7,9-10H,2,6,8H2,(H,16,17)
InChIKeyPXWUPTZAKVPFFD-UHFFFAOYSA-N
MW371.24 g/mol
LogP4.31
Rot. Bonds5

About N-(3-iodophenyl)-4-thiophen-2-ylbutanamide

N-(3-iodophenyl)-4-thiophen-2-ylbutanamide (PubChem CID 7688853) has the molecular formula C14H14INOS and a molecular weight of 371.24 g/mol. Its IUPAC name is N-(3-iodophenyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-4-thiophen-2-ylbutanamide
PubChem CID7688853
Molecular FormulaC14H14INOS
Molecular Weight371.24 g/mol
Exact Mass370.98
IUPAC NameN-(3-iodophenyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1cccc(I)c1
InChIInChI=1S/C14H14INOS/c15-11-4-1-5-12(10-11)16-14(17)8-2-6-13-7-3-9-18-13/h1,3-5,7,9-10H,2,6,8H2,(H,16,17)
InChIKeyPXWUPTZAKVPFFD-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-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
CID 47092796
1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 3732089
4-hydroxy-N-(3-iodophenyl)butanamide
CID 79204561
N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 26907103
N-(4-iodophenyl)-3-thiophen-2-ylpropanamide
CID 2991783
N-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 82862241
5-hydroxy-N-(3-iodophenyl)pentanamide
CID 79199444
N-(2-iodophenyl)-4-thiophen-2-ylbutanamide
CID 26087634
N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119384896
(2S)-2-[[3-(4-thiophen-2-ylbutanoylamino)benzoyl]amino]propanoic acid
CID 119238490
N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119629762

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(3-iodophenyl)-4-thiophen-2-ylbutanamide (CID 7688853) is N-(3-iodophenyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(3-iodophenyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(3-iodophenyl)-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)Nc1cccc(I)c1.
What is the InChIKey of N-(3-iodophenyl)-4-thiophen-2-ylbutanamide?
The InChIKey is PXWUPTZAKVPFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INOS/c15-11-4-1-5-12(10-11)16-14(17)8-2-6-13-7-3-9-18-13/h1,3-5,7,9-10H,2,6,8H2,(H,16,17).
What are the key properties of N-(3-iodophenyl)-4-thiophen-2-ylbutanamide?
N-(3-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-(3-iodophenyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 7688853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).