N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2,4-dichlorophenyl)methylsulfanyl]acetamide

C17H22Cl2N2OS — CID 60580638

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2,4-dichlorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1Cl)NCC1CCN(C2CC2)C1
InChIInChI=1S/C17H22Cl2N2OS/c18-14-2-1-13(16(19)7-14)10-23-11-17(22)20-8-12-5-6-21(9-12)15-3-4-15/h1-2,7,12,15H,3-6,8-11H2,(H,20,22)
InChIKeyDBJRFPMUHDNZNP-UHFFFAOYSA-N
MW373.35 g/mol
LogP3.83
Rot. Bonds7

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2,4-dichlorophenyl)methylsulfanyl]acetamide

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2,4-dichlorophenyl)methylsulfanyl]acetamide (PubChem CID 60580638) has the molecular formula C17H22Cl2N2OS and a molecular weight of 373.35 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2,4-dichlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2,4-dichlorophenyl)methylsulfanyl]acetamide
PubChem CID60580638
Molecular FormulaC17H22Cl2N2OS
Molecular Weight373.35 g/mol
Exact Mass372.08
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2,4-dichlorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1Cl)NCC1CCN(C2CC2)C1
InChIInChI=1S/C17H22Cl2N2OS/c18-14-2-1-13(16(19)7-14)10-23-11-17(22)20-8-12-5-6-21(9-12)15-3-4-15/h1-2,7,12,15H,3-6,8-11H2,(H,20,22)
InChIKeyDBJRFPMUHDNZNP-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]acetamide
CID 60578541
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 86984925
2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 60809819
6-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 119219944
methyl 3-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]propanoate
CID 134026477
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(methylamino)propyl]acetamide
CID 119431045
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119451069
3-(2,4-dichlorophenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]propanamide
CID 71910674
2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 99832914
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
CID 62231885
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 134058084
methyl 4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]butanoate
CID 134021321

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2,4-dichlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2,4-dichlorophenyl)methylsulfanyl]acetamide (CID 60580638) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2,4-dichlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2,4-dichlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2,4-dichlorophenyl)methylsulfanyl]acetamide is O=C(CSCc1ccc(Cl)cc1Cl)NCC1CCN(C2CC2)C1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2,4-dichlorophenyl)methylsulfanyl]acetamide?
The InChIKey is DBJRFPMUHDNZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2OS/c18-14-2-1-13(16(19)7-14)10-23-11-17(22)20-8-12-5-6-21(9-12)15-3-4-15/h1-2,7,12,15H,3-6,8-11H2,(H,20,22).
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2,4-dichlorophenyl)methylsulfanyl]acetamide?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2,4-dichlorophenyl)methylsulfanyl]acetamide has a molecular weight of 373.35 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2,4-dichlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 60580638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).