2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide

C13H20N2OS — CID 43299357

IUPAC2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CSc1ccc(N)cc1
InChIInChI=1S/C13H20N2OS/c1-9(2)10(3)15-13(16)8-17-12-6-4-11(14)5-7-12/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)
InChIKeyPARCUADKEKCXEX-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.52
Rot. Bonds5

About 2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide

2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide (PubChem CID 43299357) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
PubChem CID43299357
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CSc1ccc(N)cc1
InChIInChI=1S/C13H20N2OS/c1-9(2)10(3)15-13(16)8-17-12-6-4-11(14)5-7-12/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)
InChIKeyPARCUADKEKCXEX-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide
CID 94223671
2-(4-aminophenyl)sulfanyl-N-pentan-3-ylacetamide
CID 54956909
2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79149634
2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43299114
2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43298965
2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79147255
2-(2-amino-4-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43302612
2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 43298954
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43251162
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 66347840
methyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-methylbutanoate
CID 43404111
methyl 2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-3-methylbutanoate
CID 43406395

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide (CID 43299357) is 2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CSc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is PARCUADKEKCXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(2)10(3)15-13(16)8-17-12-6-4-11(14)5-7-12/h4-7,9-10H,8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 252.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 43299357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).