2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide

C23H24FN3OS — CID 9297150

IUPAC2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CN[C@H](c1ccc(F)cc1)c1cccs1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C23H24FN3OS/c24-18-7-5-17(6-8-18)23(21-4-3-15-29-21)25-16-22(28)26-19-9-11-20(12-10-19)27-13-1-2-14-27/h3-12,15,23,25H,1-2,13-14,16H2,(H,26,28)/t23-/m1/s1
InChIKeyLEOGSTGNLLVCQO-HSZRJFAPSA-N
MW409.53 g/mol
LogP4.81
Rot. Bonds7

About 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 9297150) has the molecular formula C23H24FN3OS and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID9297150
Molecular FormulaC23H24FN3OS
Molecular Weight409.53 g/mol
Exact Mass409.16
IUPAC Name2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CN[C@H](c1ccc(F)cc1)c1cccs1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C23H24FN3OS/c24-18-7-5-17(6-8-18)23(21-4-3-15-29-21)25-16-22(28)26-19-9-11-20(12-10-19)27-13-1-2-14-27/h3-12,15,23,25H,1-2,13-14,16H2,(H,26,28)/t23-/m1/s1
InChIKeyLEOGSTGNLLVCQO-HSZRJFAPSA-N
XLogP4.81
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 60537251
2-[[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55411253
N-(4-fluorophenyl)-2-[4-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30622575
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9029961
methyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate
CID 94176340
N-(2,4-difluorophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051750
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 9298013
1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea
CID 17499433
2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60661179
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 25341331

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 9297150) is 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is LEOGSTGNLLVCQO-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H24FN3OS/c24-18-7-5-17(6-8-18)23(21-4-3-15-29-21)25-16-22(28)26-19-9-11-20(12-10-19)27-13-1-2-14-27/h3-12,15,23,25H,1-2,13-14,16H2,(H,26,28)/t23-/m1/s1.
What are the key properties of 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 409.53 g/mol, XLogP of 4.81, 7 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-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 9297150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).