N-(3-iodophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C12H14INOS — CID 107022124

IUPACN-(3-iodophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESO=C(CC1(CS)CC1)Nc1cccc(I)c1
InChIInChI=1S/C12H14INOS/c13-9-2-1-3-10(6-9)14-11(15)7-12(8-16)4-5-12/h1-3,6,16H,4-5,7-8H2,(H,14,15)
InChIKeyMTVGOBIPXFJNKY-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.33
Rot. Bonds4

About N-(3-iodophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-(3-iodophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107022124) has the molecular formula C12H14INOS and a molecular weight of 347.22 g/mol. Its IUPAC name is N-(3-iodophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107022124
Molecular FormulaC12H14INOS
Molecular Weight347.22 g/mol
Exact Mass346.98
IUPAC NameN-(3-iodophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESO=C(CC1(CS)CC1)Nc1cccc(I)c1
InChIInChI=1S/C12H14INOS/c13-9-2-1-3-10(6-9)14-11(15)7-12(8-16)4-5-12/h1-3,6,16H,4-5,7-8H2,(H,14,15)
InChIKeyMTVGOBIPXFJNKY-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(3-iodophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide 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

2-(1-hydroxycyclopentyl)-N-(3-iodophenyl)acetamide
CID 111432130
4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]benzamide
CID 107020469
2-chloro-N-(3-iodophenyl)acetamide
CID 2342100
3-(3-iodoanilino)-3-oxopropanoic acid
CID 62230564
N-(4-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107021050
N-(3-bromo-4-fluorophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107034985
2-anilino-N-(3-iodophenyl)acetamide
CID 47107105
N-pyrimidin-5-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107590325
1-[(3-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096054
4-hydroxy-N-(3-iodophenyl)butanamide
CID 79204561
5-hydroxy-N-(3-iodophenyl)pentanamide
CID 79199444
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 106672965

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(3-iodophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107022124) is N-(3-iodophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(3-iodophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(3-iodophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is O=C(CC1(CS)CC1)Nc1cccc(I)c1.
What is the InChIKey of N-(3-iodophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is MTVGOBIPXFJNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INOS/c13-9-2-1-3-10(6-9)14-11(15)7-12(8-16)4-5-12/h1-3,6,16H,4-5,7-8H2,(H,14,15).
What are the key properties of N-(3-iodophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(3-iodophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 347.22 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107022124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).