2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide

C11H15IN2OS — CID 43249676

IUPAC2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CSCCN
InChIInChI=1S/C11H15IN2OS/c1-8-6-9(12)2-3-10(8)14-11(15)7-16-5-4-13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyRXIYQZJKMUNVOS-UHFFFAOYSA-N
MW350.23 g/mol
LogP2.23
Rot. Bonds5

About 2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide

2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide (PubChem CID 43249676) has the molecular formula C11H15IN2OS and a molecular weight of 350.23 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide
PubChem CID43249676
Molecular FormulaC11H15IN2OS
Molecular Weight350.23 g/mol
Exact Mass349.99
IUPAC Name2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CSCCN
InChIInChI=1S/C11H15IN2OS/c1-8-6-9(12)2-3-10(8)14-11(15)7-16-5-4-13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyRXIYQZJKMUNVOS-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethylsulfanyl)-N-(2-methyl-4-nitrophenyl)acetamide
CID 134064971
N-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide
CID 55667551
2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 40883287
2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 43249692
2-(ethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 4799659
[2-(4-iodo-2-methylanilino)-2-oxoethyl] carbamimidothioate
CID 60641795
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide
CID 61031719
2-[1-[[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65443486
4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide
CID 81075652
2-(2-aminoethylsulfanyl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 84551895
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide
CID 112815581

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide (CID 43249676) is 2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide is Cc1cc(I)ccc1NC(=O)CSCCN.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide?
The InChIKey is RXIYQZJKMUNVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2OS/c1-8-6-9(12)2-3-10(8)14-11(15)7-16-5-4-13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide?
2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide has a molecular weight of 350.23 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide is sourced from PubChem (CID 43249676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).