2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide

C15H23N3O2S — CID 79126761

IUPAC2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
SMILESCc1cc(SCC(=O)NC(=O)NCCC(C)C)ccc1N
InChIInChI=1S/C15H23N3O2S/c1-10(2)6-7-17-15(20)18-14(19)9-21-12-4-5-13(16)11(3)8-12/h4-5,8,10H,6-7,9,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyMWNYWUMAGIHDOX-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.54
Rot. Bonds6

About 2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide

2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide (PubChem CID 79126761) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
PubChem CID79126761
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
SMILESCc1cc(SCC(=O)NC(=O)NCCC(C)C)ccc1N
InChIInChI=1S/C15H23N3O2S/c1-10(2)6-7-17-15(20)18-14(19)9-21-12-4-5-13(16)11(3)8-12/h4-5,8,10H,6-7,9,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyMWNYWUMAGIHDOX-UHFFFAOYSA-N
XLogP2.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.54
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-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 79148077
2-(3-amino-2-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 79128676
N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 8787700
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 79142633
2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 106678468
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79147675
2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 79128316
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 2486784
2-(4-amino-3-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 79127669
2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 79149469
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-methylbutylcarbamoyl)acetamide
CID 135512079
2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 79148103

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide?
The IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide (CID 79126761) is 2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide is Cc1cc(SCC(=O)NC(=O)NCCC(C)C)ccc1N.
What is the InChIKey of 2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide?
The InChIKey is MWNYWUMAGIHDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-10(2)6-7-17-15(20)18-14(19)9-21-12-4-5-13(16)11(3)8-12/h4-5,8,10H,6-7,9,16H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide?
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide has a molecular weight of 309.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide is sourced from PubChem (CID 79126761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).