2-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]sulfanylacetamide

C20H21ClN2O3S — CID 67169214

IUPAC2-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H21ClN2O3S/c21-14-5-7-15(8-6-14)26-16-9-11-23(12-10-16)20(25)17-3-1-2-4-18(17)27-13-19(22)24/h1-8,16H,9-13H2,(H2,22,24)
InChIKeyWOEMXOQHCWBPOX-UHFFFAOYSA-N
MW404.92 g/mol
LogP3.60
Rot. Bonds6

About 2-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]sulfanylacetamide

2-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]sulfanylacetamide (PubChem CID 67169214) has the molecular formula C20H21ClN2O3S and a molecular weight of 404.92 g/mol. Its IUPAC name is 2-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]sulfanylacetamide
PubChem CID67169214
Molecular FormulaC20H21ClN2O3S
Molecular Weight404.92 g/mol
Exact Mass404.10
IUPAC Name2-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H21ClN2O3S/c21-14-5-7-15(8-6-14)26-16-9-11-23(12-10-16)20(25)17-3-1-2-4-18(17)27-13-19(22)24/h1-8,16H,9-13H2,(H2,22,24)
InChIKeyWOEMXOQHCWBPOX-UHFFFAOYSA-N
XLogP3.60
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chlorophenoxy)piperidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone
CID 166338951
2-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide
CID 60556704
ethyl 2-[4-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 42925972
[4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone
CID 67168153
2-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]sulfanylacetamide
CID 9490040
1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 53235473
[4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone
CID 67169614
methyl 2-[4-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]piperazin-1-yl]-2-(2-chlorophenyl)acetate
CID 55532998
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
(2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558763
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
CID 67529016

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]sulfanylacetamide (CID 67169214) is 2-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]sulfanylacetamide?
The InChIKey is WOEMXOQHCWBPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3S/c21-14-5-7-15(8-6-14)26-16-9-11-23(12-10-16)20(25)17-3-1-2-4-18(17)27-13-19(22)24/h1-8,16H,9-13H2,(H2,22,24).
What are the key properties of 2-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]sulfanylacetamide?
2-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]sulfanylacetamide has a molecular weight of 404.92 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]sulfanylacetamide is sourced from PubChem (CID 67169214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).