2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide

C17H20N2OS — CID 43298954

IUPAC2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CSc2ccc(N)cc2)c1
InChIInChI=1S/C17H20N2OS/c1-12(2)13-4-3-5-15(10-13)19-17(20)11-21-16-8-6-14(18)7-9-16/h3-10,12H,11,18H2,1-2H3,(H,19,20)
InChIKeyKAWSVCNZZDVHNP-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.12
Rot. Bonds5

About 2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide

2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 43298954) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
PubChem CID43298954
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CSc2ccc(N)cc2)c1
InChIInChI=1S/C17H20N2OS/c1-12(2)13-4-3-5-15(10-13)19-17(20)11-21-16-8-6-14(18)7-9-16/h3-10,12H,11,18H2,1-2H3,(H,19,20)
InChIKeyKAWSVCNZZDVHNP-UHFFFAOYSA-N
XLogP4.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.12
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

3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 62230571
N,N-diethyl-3-[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]benzamide
CID 35065040
N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 55539737
2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide
CID 61035869
2-cyclohexylsulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 134042023
4-oxo-4-(3-propan-2-ylanilino)butanoic acid
CID 43396404
N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 46568360
3-amino-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 43123771
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide
CID 46700581
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide (CID 43298954) is 2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1cccc(NC(=O)CSc2ccc(N)cc2)c1.
What is the InChIKey of 2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is KAWSVCNZZDVHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12(2)13-4-3-5-15(10-13)19-17(20)11-21-16-8-6-14(18)7-9-16/h3-10,12H,11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide?
2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 300.43 g/mol, XLogP of 4.12, 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-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 43298954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).