2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide

C16H26N2OS — CID 66347840

IUPAC2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide
SMILESCCNCc1cccc(SCC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C16H26N2OS/c1-5-17-10-14-7-6-8-15(9-14)20-11-16(19)18-13(4)12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyWUUUUOYQZFAARP-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.05
Rot. Bonds8

About 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide

2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide (PubChem CID 66347840) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide
PubChem CID66347840
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide
SMILESCCNCc1cccc(SCC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C16H26N2OS/c1-5-17-10-14-7-6-8-15(9-14)20-11-16(19)18-13(4)12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyWUUUUOYQZFAARP-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 66347465
N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]phenyl]sulfanylacetamide
CID 66347747
N-pentan-2-yl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide
CID 66347676
N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide
CID 94223671
4-[3-(ethylaminomethyl)phenyl]sulfanyl-N-methylbutanamide
CID 66349601
2-[3-(aminomethyl)phenyl]sulfanyl-N-pentan-2-ylacetamide
CID 66353279
N-[(3-propylsulfanylphenyl)methyl]ethanamine
CID 66347645
N-[(3-pentylsulfanylphenyl)methyl]ethanamine
CID 66348037
N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine
CID 66347067
N-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide
CID 66348230
2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43299357
5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol
CID 66348613

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide (CID 66347840) is 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide is CCNCc1cccc(SCC(=O)NC(C)C(C)C)c1.
What is the InChIKey of 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is WUUUUOYQZFAARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-5-17-10-14-7-6-8-15(9-14)20-11-16(19)18-13(4)12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19).
What are the key properties of 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide?
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 294.46 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 66347840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).