N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide

C21H20FNO2S2 — CID 55525316

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)NC(c2ccc(F)cc2)c2cccs2)cc1
InChIInChI=1S/C21H20FNO2S2/c1-14(27-18-11-9-17(25-2)10-12-18)21(24)23-20(19-4-3-13-26-19)15-5-7-16(22)8-6-15/h3-14,20H,1-2H3,(H,23,24)
InChIKeyADDNXVBAJOMYAO-UHFFFAOYSA-N
MW401.53 g/mol
LogP5.28
Rot. Bonds7

About N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 55525316) has the molecular formula C21H20FNO2S2 and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID55525316
Molecular FormulaC21H20FNO2S2
Molecular Weight401.53 g/mol
Exact Mass401.09
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)NC(c2ccc(F)cc2)c2cccs2)cc1
InChIInChI=1S/C21H20FNO2S2/c1-14(27-18-11-9-17(25-2)10-12-18)21(24)23-20(19-4-3-13-26-19)15-5-7-16(22)8-6-15/h3-14,20H,1-2H3,(H,23,24)
InChIKeyADDNXVBAJOMYAO-UHFFFAOYSA-N
XLogP5.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.53
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 60506189
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 55389482
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 46449714
(2S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methylphenoxy)propanamide
CID 41441488
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51546951
2-(4-methoxyphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 78791455
(E)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 46565152
ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate
CID 60664930
(2S)-2-[2-(4-methoxyphenyl)sulfanylpropanoylamino]propanoic acid
CID 119238130
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide
CID 61258454
methyl 3-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanylpropanoate
CID 9344493

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide (CID 55525316) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SC(C)C(=O)NC(c2ccc(F)cc2)c2cccs2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is ADDNXVBAJOMYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2S2/c1-14(27-18-11-9-17(25-2)10-12-18)21(24)23-20(19-4-3-13-26-19)15-5-7-16(22)8-6-15/h3-14,20H,1-2H3,(H,23,24).
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 401.53 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 55525316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).