2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C22H23FN2OS — CID 42088730

IUPAC2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN(C)[C@H](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H23FN2OS/c1-24(14-17-12-13-27-16-17)21(26)15-25(2)22(18-6-4-3-5-7-18)19-8-10-20(23)11-9-19/h3-13,16,22H,14-15H2,1-2H3/t22-/m1/s1
InChIKeyKXHDRWAINPGECO-JOCHJYFZSA-N
MW382.50 g/mol
LogP4.57
Rot. Bonds7

About 2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 42088730) has the molecular formula C22H23FN2OS and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID42088730
Molecular FormulaC22H23FN2OS
Molecular Weight382.50 g/mol
Exact Mass382.15
IUPAC Name2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN(C)[C@H](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H23FN2OS/c1-24(14-17-12-13-27-16-17)21(26)15-25(2)22(18-6-4-3-5-7-18)19-8-10-20(23)11-9-19/h3-13,16,22H,14-15H2,1-2H3/t22-/m1/s1
InChIKeyKXHDRWAINPGECO-JOCHJYFZSA-N
XLogP4.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide
CID 43528267
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2,2-diphenylacetate
CID 9229252
3-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986769
2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 66186907
2-(2-aminophenyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 43249154
2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 18197678
3-methyl-5-[methyl(thiophen-3-ylmethyl)amino]-5-oxopentanoic acid
CID 55157709
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 107485003
2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 43528522
2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61328793
1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one
CID 62053360
phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate
CID 60666169

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 42088730) is 2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)CN(C)[C@H](c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is KXHDRWAINPGECO-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23FN2OS/c1-24(14-17-12-13-27-16-17)21(26)15-25(2)22(18-6-4-3-5-7-18)19-8-10-20(23)11-9-19/h3-13,16,22H,14-15H2,1-2H3/t22-/m1/s1.
What are the key properties of 2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 382.50 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 42088730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).