2-[2-(2-hydroxy-4-iodoanilino)-2-oxoethyl]sulfanylacetamide

C10H11IN2O3S — CID 155947697

IUPAC2-[2-(2-hydroxy-4-iodoanilino)-2-oxoethyl]sulfanylacetamide
SMILESNC(=O)CSCC(=O)Nc1ccc(I)cc1O
InChIInChI=1S/C10H11IN2O3S/c11-6-1-2-7(8(14)3-6)13-10(16)5-17-4-9(12)15/h1-3,14H,4-5H2,(H2,12,15)(H,13,16)
InChIKeyMMMQIQIUXJZWCK-UHFFFAOYSA-N
MW366.18 g/mol
LogP1.15
Rot. Bonds5

About 2-[2-(2-hydroxy-4-iodoanilino)-2-oxoethyl]sulfanylacetamide

2-[2-(2-hydroxy-4-iodoanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 155947697) has the molecular formula C10H11IN2O3S and a molecular weight of 366.18 g/mol. Its IUPAC name is 2-[2-(2-hydroxy-4-iodoanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-(2-hydroxy-4-iodoanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID155947697
Molecular FormulaC10H11IN2O3S
Molecular Weight366.18 g/mol
Exact Mass365.95
IUPAC Name2-[2-(2-hydroxy-4-iodoanilino)-2-oxoethyl]sulfanylacetamide
SMILESNC(=O)CSCC(=O)Nc1ccc(I)cc1O
InChIInChI=1S/C10H11IN2O3S/c11-6-1-2-7(8(14)3-6)13-10(16)5-17-4-9(12)15/h1-3,14H,4-5H2,(H2,12,15)(H,13,16)
InChIKeyMMMQIQIUXJZWCK-UHFFFAOYSA-N
XLogP1.15
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide
CID 43249676
N-(2-amino-4-iodophenyl)-2-methylsulfanylacetamide
CID 164649538
2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 40883287
N-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide
CID 55667551
3-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-4-chlorobenzoic acid
CID 114231235
[2-(4-iodo-2-methylanilino)-2-oxoethyl] carbamimidothioate
CID 60641795
2-[(2-butylsulfanylacetyl)amino]-5-iodobenzoic acid
CID 63405535
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511
2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide
CID 61031719
3-hydroxy-4-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 60826514
2-[1-[[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65443486
2-[2-(2-hydroxyanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 51284419

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxy-4-iodoanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-(2-hydroxy-4-iodoanilino)-2-oxoethyl]sulfanylacetamide (CID 155947697) is 2-[2-(2-hydroxy-4-iodoanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-(2-hydroxy-4-iodoanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-(2-hydroxy-4-iodoanilino)-2-oxoethyl]sulfanylacetamide is NC(=O)CSCC(=O)Nc1ccc(I)cc1O.
What is the InChIKey of 2-[2-(2-hydroxy-4-iodoanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is MMMQIQIUXJZWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O3S/c11-6-1-2-7(8(14)3-6)13-10(16)5-17-4-9(12)15/h1-3,14H,4-5H2,(H2,12,15)(H,13,16).
What are the key properties of 2-[2-(2-hydroxy-4-iodoanilino)-2-oxoethyl]sulfanylacetamide?
2-[2-(2-hydroxy-4-iodoanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 366.18 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxy-4-iodoanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 155947697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).