2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-3-ylacetamide

C16H26N2OS — CID 64660929

IUPAC2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CSc1cccc(C(C)NC)c1
InChIInChI=1S/C16H26N2OS/c1-5-14(6-2)18-16(19)11-20-15-9-7-8-13(10-15)12(3)17-4/h7-10,12,14,17H,5-6,11H2,1-4H3,(H,18,19)
InChIKeyXBKFNFNIVKZENH-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.36
Rot. Bonds8

About 2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-3-ylacetamide

2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-3-ylacetamide (PubChem CID 64660929) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-3-ylacetamide
PubChem CID64660929
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CSc1cccc(C(C)NC)c1
InChIInChI=1S/C16H26N2OS/c1-5-14(6-2)18-16(19)11-20-15-9-7-8-13(10-15)12(3)17-4/h7-10,12,14,17H,5-6,11H2,1-4H3,(H,18,19)
InChIKeyXBKFNFNIVKZENH-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminophenyl)sulfanyl-N-pentan-3-ylacetamide
CID 79134330
2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide
CID 64665108
2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2951148
N-methyl-1-(3-pentylsulfanylphenyl)ethanamine
CID 64663527
N-methyl-1-(3-nonylsulfanylphenyl)ethanamine
CID 64664208
N-(1-aminobutan-2-yl)-2-phenylsulfanylacetamide
CID 65193463
2-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylacetamide
CID 64662744
2-(4-aminophenyl)sulfanyl-N-pentan-3-ylacetamide
CID 54956909
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-2-ylpropanamide
CID 64663351
4-[2-oxo-2-(pentan-3-ylamino)ethyl]sulfanylbenzoic acid
CID 60709345
methyl 2,2-dimethyl-3-[3-[1-(methylamino)ethyl]phenyl]sulfanylpropanoate
CID 79631485

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-3-ylacetamide?
The IUPAC name of 2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-3-ylacetamide (CID 64660929) is 2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CSc1cccc(C(C)NC)c1.
What is the InChIKey of 2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-3-ylacetamide?
The InChIKey is XBKFNFNIVKZENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-5-14(6-2)18-16(19)11-20-15-9-7-8-13(10-15)12(3)17-4/h7-10,12,14,17H,5-6,11H2,1-4H3,(H,18,19).
What are the key properties of 2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-3-ylacetamide?
2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-3-ylacetamide has a molecular weight of 294.46 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-3-ylacetamide is sourced from PubChem (CID 64660929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).