2-(2,5-dichlorophenyl)sulfanyl-N-methyl-N-(1-propylpiperidin-4-yl)acetamide

C17H24Cl2N2OS — CID 60558573

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-methyl-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(N(C)C(=O)CSc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H24Cl2N2OS/c1-3-8-21-9-6-14(7-10-21)20(2)17(22)12-23-16-11-13(18)4-5-15(16)19/h4-5,11,14H,3,6-10,12H2,1-2H3
InChIKeyUXRVOTCKHIBWCA-UHFFFAOYSA-N
MW375.37 g/mol
LogP4.42
Rot. Bonds6

About 2-(2,5-dichlorophenyl)sulfanyl-N-methyl-N-(1-propylpiperidin-4-yl)acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-methyl-N-(1-propylpiperidin-4-yl)acetamide (PubChem CID 60558573) has the molecular formula C17H24Cl2N2OS and a molecular weight of 375.37 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-methyl-N-(1-propylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-methyl-N-(1-propylpiperidin-4-yl)acetamide
PubChem CID60558573
Molecular FormulaC17H24Cl2N2OS
Molecular Weight375.37 g/mol
Exact Mass374.10
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-methyl-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(N(C)C(=O)CSc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H24Cl2N2OS/c1-3-8-21-9-6-14(7-10-21)20(2)17(22)12-23-16-11-13(18)4-5-15(16)19/h4-5,11,14H,3,6-10,12H2,1-2H3
InChIKeyUXRVOTCKHIBWCA-UHFFFAOYSA-N
XLogP4.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61138918
N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride
CID 119582804
3-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfanyl-4-fluorobenzoic acid
CID 80557060
4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61139107
5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 61051847
4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 80972236
3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103826706
2-(2-chlorophenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442906
methyl 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-[2-(4-methylpiperazin-1-yl)ethyl]amino]acetate
CID 100691762
3-[methyl-(1-propylpiperidin-4-yl)amino]-3-oxopropanoic acid
CID 62230268
2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 61044792
5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide
CID 54916159

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-methyl-N-(1-propylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-methyl-N-(1-propylpiperidin-4-yl)acetamide (CID 60558573) is 2-(2,5-dichlorophenyl)sulfanyl-N-methyl-N-(1-propylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-methyl-N-(1-propylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-methyl-N-(1-propylpiperidin-4-yl)acetamide is CCCN1CCC(N(C)C(=O)CSc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-methyl-N-(1-propylpiperidin-4-yl)acetamide?
The InChIKey is UXRVOTCKHIBWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2OS/c1-3-8-21-9-6-14(7-10-21)20(2)17(22)12-23-16-11-13(18)4-5-15(16)19/h4-5,11,14H,3,6-10,12H2,1-2H3.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-methyl-N-(1-propylpiperidin-4-yl)acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-methyl-N-(1-propylpiperidin-4-yl)acetamide has a molecular weight of 375.37 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-methyl-N-(1-propylpiperidin-4-yl)acetamide is sourced from PubChem (CID 60558573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).