2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide

C16H20N2OS — CID 8862800

IUPAC2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C16H20N2OS/c1-2-10-17-15(19)12-18-16(14-9-6-11-20-14)13-7-4-3-5-8-13/h3-9,11,16,18H,2,10,12H2,1H3,(H,17,19)/t16-/m0/s1
InChIKeySJBKFDLVZZDHRK-INIZCTEOSA-N
MW288.42 g/mol
LogP2.95
Rot. Bonds7

About 2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide

2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide (PubChem CID 8862800) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide
PubChem CID8862800
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C16H20N2OS/c1-2-10-17-15(19)12-18-16(14-9-6-11-20-14)13-7-4-3-5-8-13/h3-9,11,16,18H,2,10,12H2,1H3,(H,17,19)/t16-/m0/s1
InChIKeySJBKFDLVZZDHRK-INIZCTEOSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
CID 8790275
2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
CID 8867924
N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8997932
N-(3-methylbutyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8867294
N-[2-(ethylamino)-2-oxoethyl]-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136383
methyl 4-[[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]methyl]benzoate
CID 9050488
N-butyl-2-[4-[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]acetamide
CID 8865534
N-[(2R)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8862218
N-[(2S)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8862203
2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide
CID 34156353
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051553

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide (CID 8862800) is 2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide is CCCNC(=O)CN[C@@H](c1ccccc1)c1cccs1.
What is the InChIKey of 2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide?
The InChIKey is SJBKFDLVZZDHRK-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-2-10-17-15(19)12-18-16(14-9-6-11-20-14)13-7-4-3-5-8-13/h3-9,11,16,18H,2,10,12H2,1H3,(H,17,19)/t16-/m0/s1.
What are the key properties of 2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide?
2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide has a molecular weight of 288.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide is sourced from PubChem (CID 8862800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).