2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide

C14H20N2O2S — CID 2228588

IUPAC2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCCCCc1ccc(NC(=O)CSCC(N)=O)cc1
InChIInChI=1S/C14H20N2O2S/c1-2-3-4-11-5-7-12(8-6-11)16-14(18)10-19-9-13(15)17/h5-8H,2-4,9-10H2,1H3,(H2,15,17)(H,16,18)
InChIKeySWNYZYPKIKKKJB-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.19
Rot. Bonds8

About 2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide

2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 2228588) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID2228588
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCCCCc1ccc(NC(=O)CSCC(N)=O)cc1
InChIInChI=1S/C14H20N2O2S/c1-2-3-4-11-5-7-12(8-6-11)16-14(18)10-19-9-13(15)17/h5-8H,2-4,9-10H2,1H3,(H2,15,17)(H,16,18)
InChIKeySWNYZYPKIKKKJB-UHFFFAOYSA-N
XLogP2.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide
CID 82180180
N-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2206380
2-[4-[4-[2-(4-butylanilino)-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(4-butylphenyl)acetamide
CID 3490839
2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide
CID 3604206
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
2-methylsulfanyl-N-(4-propylphenyl)acetamide
CID 112765657
N-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide
CID 4240546
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
2-(3-aminobutylsulfanyl)-N-(4-propylphenyl)acetamide
CID 66233973
N-(4-heptylphenyl)heptanamide
CID 101077737
4-amino-N-(4-pentylphenyl)butanamide
CID 61248586
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide (CID 2228588) is 2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide is CCCCc1ccc(NC(=O)CSCC(N)=O)cc1.
What is the InChIKey of 2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is SWNYZYPKIKKKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-2-3-4-11-5-7-12(8-6-11)16-14(18)10-19-9-13(15)17/h5-8H,2-4,9-10H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide?
2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 280.39 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 2228588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).