2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide

C21H23FN2O3S — CID 9298858

IUPAC2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCOc1ccc(CN(C(=O)CSCC(=O)Nc2ccccc2F)C2CC2)cc1
InChIInChI=1S/C21H23FN2O3S/c1-27-17-10-6-15(7-11-17)12-24(16-8-9-16)21(26)14-28-13-20(25)23-19-5-3-2-4-18(19)22/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,23,25)
InChIKeyWDLOMCZEDWJAGS-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.70
Rot. Bonds9

About 2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide

2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 9298858) has the molecular formula C21H23FN2O3S and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID9298858
Molecular FormulaC21H23FN2O3S
Molecular Weight402.49 g/mol
Exact Mass402.14
IUPAC Name2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCOc1ccc(CN(C(=O)CSCC(=O)Nc2ccccc2F)C2CC2)cc1
InChIInChI=1S/C21H23FN2O3S/c1-27-17-10-6-15(7-11-17)12-24(16-8-9-16)21(26)14-28-13-20(25)23-19-5-3-2-4-18(19)22/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,23,25)
InChIKeyWDLOMCZEDWJAGS-UHFFFAOYSA-N
XLogP3.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 9298853
2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 134052775
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 51206705
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51206707
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8553578
4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 54869898
N-(2-fluorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054040
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 30938797
N-cyclopentyl-2-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132613820
N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 86907274

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide (CID 9298858) is 2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide is COc1ccc(CN(C(=O)CSCC(=O)Nc2ccccc2F)C2CC2)cc1.
What is the InChIKey of 2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is WDLOMCZEDWJAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3S/c1-27-17-10-6-15(7-11-17)12-24(16-8-9-16)21(26)14-28-13-20(25)23-19-5-3-2-4-18(19)22/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,23,25).
What are the key properties of 2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide?
2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 402.49 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 9298858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).