N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide

C23H26N2OS — CID 8997932

IUPACN-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCC(C)c1ccc([C@H](NCC(=O)NCc2ccccc2)c2cccs2)cc1
InChIInChI=1S/C23H26N2OS/c1-17(2)19-10-12-20(13-11-19)23(21-9-6-14-27-21)25-16-22(26)24-15-18-7-4-3-5-8-18/h3-14,17,23,25H,15-16H2,1-2H3,(H,24,26)/t23-/m0/s1
InChIKeyWTSNJUGEAKFXJZ-QHCPKHFHSA-N
MW378.54 g/mol
LogP4.87
Rot. Bonds8

About N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide

N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide (PubChem CID 8997932) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
PubChem CID8997932
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC NameN-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCC(C)c1ccc([C@H](NCC(=O)NCc2ccccc2)c2cccs2)cc1
InChIInChI=1S/C23H26N2OS/c1-17(2)19-10-12-20(13-11-19)23(21-9-6-14-27-21)25-16-22(26)24-15-18-7-4-3-5-8-18/h3-14,17,23,25H,15-16H2,1-2H3,(H,24,26)/t23-/m0/s1
InChIKeyWTSNJUGEAKFXJZ-QHCPKHFHSA-N
XLogP4.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8997945
methyl 4-[[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]methyl]benzoate
CID 9050488
N-[(4-methoxyphenyl)methyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051908
2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide
CID 8862800
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)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
CID 8867924
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051553
2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8769647
N-[(1S)-1-naphthalen-1-ylethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866227
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 55498286

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The IUPAC name of N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide (CID 8997932) is N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide.
What is the SMILES notation for N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The canonical SMILES for N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide is CC(C)c1ccc([C@H](NCC(=O)NCc2ccccc2)c2cccs2)cc1.
What is the InChIKey of N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The InChIKey is WTSNJUGEAKFXJZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26N2OS/c1-17(2)19-10-12-20(13-11-19)23(21-9-6-14-27-21)25-16-22(26)24-15-18-7-4-3-5-8-18/h3-14,17,23,25H,15-16H2,1-2H3,(H,24,26)/t23-/m0/s1.
What are the key properties of N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide has a molecular weight of 378.54 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide is sourced from PubChem (CID 8997932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).