2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide

C12H15N3O2S — CID 43249110

IUPAC2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide
SMILESNc1ccccc1SCC(=O)NC(=O)NC1CC1
InChIInChI=1S/C12H15N3O2S/c13-9-3-1-2-4-10(9)18-7-11(16)15-12(17)14-8-5-6-8/h1-4,8H,5-7,13H2,(H2,14,15,16,17)
InChIKeyIHBVNARRHXHLRP-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.35
Rot. Bonds4

About 2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide

2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide (PubChem CID 43249110) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide
PubChem CID43249110
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide
SMILESNc1ccccc1SCC(=O)NC(=O)NC1CC1
InChIInChI=1S/C12H15N3O2S/c13-9-3-1-2-4-10(9)18-7-11(16)15-12(17)14-8-5-6-8/h1-4,8H,5-7,13H2,(H2,14,15,16,17)
InChIKeyIHBVNARRHXHLRP-UHFFFAOYSA-N
XLogP1.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]sulfanylbenzoic acid
CID 43241360
2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 43249136
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 43299826
2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 43250989
2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 43299295
2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide
CID 79148805
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 43301222
2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 43249246
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide
CID 86932181
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide
CID 7756295
N-(cyclopropylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18134421
N-(cyclohexylcarbamoyl)-2-naphthalen-2-ylsulfanylacetamide
CID 17431041

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide (CID 43249110) is 2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide is Nc1ccccc1SCC(=O)NC(=O)NC1CC1.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide?
The InChIKey is IHBVNARRHXHLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-9-3-1-2-4-10(9)18-7-11(16)15-12(17)14-8-5-6-8/h1-4,8H,5-7,13H2,(H2,14,15,16,17).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide?
2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide has a molecular weight of 265.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide is sourced from PubChem (CID 43249110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).