2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide

C21H24N2O3S — CID 51206705

IUPAC2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)CSc2ccc(NC(C)=O)cc2)C2CC2)cc1
InChIInChI=1S/C21H24N2O3S/c1-15(24)22-17-5-11-20(12-6-17)27-14-21(25)23(18-7-8-18)13-16-3-9-19(26-2)10-4-16/h3-6,9-12,18H,7-8,13-14H2,1-2H3,(H,22,24)
InChIKeyQNZCRWHIKQEYRG-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.94
Rot. Bonds8

About 2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide

2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 51206705) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID51206705
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)CSc2ccc(NC(C)=O)cc2)C2CC2)cc1
InChIInChI=1S/C21H24N2O3S/c1-15(24)22-17-5-11-20(12-6-17)27-14-21(25)23(18-7-8-18)13-16-3-9-19(26-2)10-4-16/h3-6,9-12,18H,7-8,13-14H2,1-2H3,(H,22,24)
InChIKeyQNZCRWHIKQEYRG-UHFFFAOYSA-N
XLogP3.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.94
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
3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 39966520
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 30938797
N-cyclopropyl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 18144168
N-(4-chlorophenyl)-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 8816106
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 55387919
1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea
CID 20908043
2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 9298858
2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 4790020

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide (CID 51206705) is 2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CN(C(=O)CSc2ccc(NC(C)=O)cc2)C2CC2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is QNZCRWHIKQEYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-15(24)22-17-5-11-20(12-6-17)27-14-21(25)23(18-7-8-18)13-16-3-9-19(26-2)10-4-16/h3-6,9-12,18H,7-8,13-14H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 384.50 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 51206705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).