2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide

C25H27FN2O2S — CID 95785454

IUPAC2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESO=C(CN[C@H](c1ccc(F)cc1)c1cccs1)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C25H27FN2O2S/c26-21-10-8-19(9-11-21)24(22-7-4-16-31-22)27-17-23(29)28-18-25(12-14-30-15-13-25)20-5-2-1-3-6-20/h1-11,16,24,27H,12-15,17-18H2,(H,28,29)/t24-/m1/s1
InChIKeyPANSDTRIEDAPSB-XMMPIXPASA-N
MW438.57 g/mol
LogP4.43
Rot. Bonds8

About 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide

2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide (PubChem CID 95785454) has the molecular formula C25H27FN2O2S and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide
PubChem CID95785454
Molecular FormulaC25H27FN2O2S
Molecular Weight438.57 g/mol
Exact Mass438.18
IUPAC Name2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESO=C(CN[C@H](c1ccc(F)cc1)c1cccs1)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C25H27FN2O2S/c26-21-10-8-19(9-11-21)24(22-7-4-16-31-22)27-17-23(29)28-18-25(12-14-30-15-13-25)20-5-2-1-3-6-20/h1-11,16,24,27H,12-15,17-18H2,(H,28,29)/t24-/m1/s1
InChIKeyPANSDTRIEDAPSB-XMMPIXPASA-N
XLogP4.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide
CID 47070990
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
methyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate
CID 94176340
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55849523
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 75538689
2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide
CID 8862800
2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9297150
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8997932
4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide
CID 120561270

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide (CID 95785454) is 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide is O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The InChIKey is PANSDTRIEDAPSB-XMMPIXPASA-N. The full InChI is InChI=1S/C25H27FN2O2S/c26-21-10-8-19(9-11-21)24(22-7-4-16-31-22)27-17-23(29)28-18-25(12-14-30-15-13-25)20-5-2-1-3-6-20/h1-11,16,24,27H,12-15,17-18H2,(H,28,29)/t24-/m1/s1.
What are the key properties of 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide?
2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide has a molecular weight of 438.57 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-[(4-phenyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 95785454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).