2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(4-methylsulfanylphenyl)propanamide

C21H26N2O2S — CID 112811651

IUPAC2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(4-methylsulfanylphenyl)propanamide
SMILESCOc1ccc(C(NC(C)C(=O)Nc2ccc(SC)cc2)C2CC2)cc1
InChIInChI=1S/C21H26N2O2S/c1-14(21(24)23-17-8-12-19(26-3)13-9-17)22-20(15-4-5-15)16-6-10-18(25-2)11-7-16/h6-15,20,22H,4-5H2,1-3H3,(H,23,24)
InChIKeyKFHPRXCXQNWEHA-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.49
Rot. Bonds8

About 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(4-methylsulfanylphenyl)propanamide

2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(4-methylsulfanylphenyl)propanamide (PubChem CID 112811651) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(4-methylsulfanylphenyl)propanamide
PubChem CID112811651
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(4-methylsulfanylphenyl)propanamide
SMILESCOc1ccc(C(NC(C)C(=O)Nc2ccc(SC)cc2)C2CC2)cc1
InChIInChI=1S/C21H26N2O2S/c1-14(21(24)23-17-8-12-19(26-3)13-9-17)22-20(15-4-5-15)16-6-10-18(25-2)11-7-16/h6-15,20,22H,4-5H2,1-3H3,(H,23,24)
InChIKeyKFHPRXCXQNWEHA-UHFFFAOYSA-N
XLogP4.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 115575468
N-cyclopropyl-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide
CID 115575469
(2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 25435383
N-(1-adamantyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide
CID 112804482
2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-(4-methylsulfanylphenyl)propanamide
CID 112814962
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
(2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 25431954
(2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9248611
(2S)-2-(cyclohexylmethylamino)-N-(4-methoxyphenyl)propanamide
CID 2351355
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide
CID 62837500

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(4-methylsulfanylphenyl)propanamide?
The IUPAC name of 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(4-methylsulfanylphenyl)propanamide (CID 112811651) is 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(4-methylsulfanylphenyl)propanamide?
The canonical SMILES for 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(4-methylsulfanylphenyl)propanamide is COc1ccc(C(NC(C)C(=O)Nc2ccc(SC)cc2)C2CC2)cc1.
What is the InChIKey of 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(4-methylsulfanylphenyl)propanamide?
The InChIKey is KFHPRXCXQNWEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-14(21(24)23-17-8-12-19(26-3)13-9-17)22-20(15-4-5-15)16-6-10-18(25-2)11-7-16/h6-15,20,22H,4-5H2,1-3H3,(H,23,24).
What are the key properties of 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(4-methylsulfanylphenyl)propanamide?
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(4-methylsulfanylphenyl)propanamide has a molecular weight of 370.52 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(4-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 112811651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).