N-[2-amino-4-(3-butylphenyl)sulfinylphenyl]acetamide

C18H22N2O2S — CID 70626035

IUPACN-[2-amino-4-(3-butylphenyl)sulfinylphenyl]acetamide
SMILESCCCCc1cccc(S(=O)c2ccc(NC(C)=O)c(N)c2)c1
InChIInChI=1S/C18H22N2O2S/c1-3-4-6-14-7-5-8-15(11-14)23(22)16-9-10-18(17(19)12-16)20-13(2)21/h5,7-12H,3-4,6,19H2,1-2H3,(H,20,21)
InChIKeyFDLNRKVODUOCJQ-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.74
Rot. Bonds6

About N-[2-amino-4-(3-butylphenyl)sulfinylphenyl]acetamide

N-[2-amino-4-(3-butylphenyl)sulfinylphenyl]acetamide (PubChem CID 70626035) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[2-amino-4-(3-butylphenyl)sulfinylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-4-(3-butylphenyl)sulfinylphenyl]acetamide
PubChem CID70626035
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[2-amino-4-(3-butylphenyl)sulfinylphenyl]acetamide
SMILESCCCCc1cccc(S(=O)c2ccc(NC(C)=O)c(N)c2)c1
InChIInChI=1S/C18H22N2O2S/c1-3-4-6-14-7-5-8-15(11-14)23(22)16-9-10-18(17(19)12-16)20-13(2)21/h5,7-12H,3-4,6,19H2,1-2H3,(H,20,21)
InChIKeyFDLNRKVODUOCJQ-UHFFFAOYSA-N
XLogP3.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(3-butylphenyl)sulfinylphenyl]acetamide?
The IUPAC name of N-[2-amino-4-(3-butylphenyl)sulfinylphenyl]acetamide (CID 70626035) is N-[2-amino-4-(3-butylphenyl)sulfinylphenyl]acetamide.
What is the SMILES notation for N-[2-amino-4-(3-butylphenyl)sulfinylphenyl]acetamide?
The canonical SMILES for N-[2-amino-4-(3-butylphenyl)sulfinylphenyl]acetamide is CCCCc1cccc(S(=O)c2ccc(NC(C)=O)c(N)c2)c1.
What is the InChIKey of N-[2-amino-4-(3-butylphenyl)sulfinylphenyl]acetamide?
The InChIKey is FDLNRKVODUOCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-4-6-14-7-5-8-15(11-14)23(22)16-9-10-18(17(19)12-16)20-13(2)21/h5,7-12H,3-4,6,19H2,1-2H3,(H,20,21).
What are the key properties of N-[2-amino-4-(3-butylphenyl)sulfinylphenyl]acetamide?
N-[2-amino-4-(3-butylphenyl)sulfinylphenyl]acetamide has a molecular weight of 330.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(3-butylphenyl)sulfinylphenyl]acetamide is sourced from PubChem (CID 70626035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).