2-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide

C19H20ClN3O2S — CID 60556704

IUPAC2-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClN3O2S/c20-14-5-7-15(8-6-14)22-9-11-23(12-10-22)19(25)16-3-1-2-4-17(16)26-13-18(21)24/h1-8H,9-13H2,(H2,21,24)
InChIKeyRIJUPKJRMFJTKL-UHFFFAOYSA-N
MW389.91 g/mol
LogP2.88
Rot. Bonds5

About 2-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide

2-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide (PubChem CID 60556704) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 2-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide
PubChem CID60556704
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name2-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClN3O2S/c20-14-5-7-15(8-6-14)22-9-11-23(12-10-22)19(25)16-3-1-2-4-17(16)26-13-18(21)24/h1-8H,9-13H2,(H2,21,24)
InChIKeyRIJUPKJRMFJTKL-UHFFFAOYSA-N
XLogP2.88
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]sulfanylacetamide
CID 67169214
ethyl 2-[4-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 42925972
2-[2-[4-(3-chloro-2-methylphenyl)-1,4-diazepane-1-carbonyl]phenyl]sulfanylacetamide
CID 154834833
(2-benzylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 2997168
methyl 2-[4-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]piperazin-1-yl]-2-(2-chlorophenyl)acetate
CID 55532998
[4-(4-fluorophenyl)piperazin-1-yl]-(2-propylsulfanylphenyl)methanone
CID 6458145
[4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 844183
(2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076207
(3S,4S)-1-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120951941
1-[4-[4-[2-(thiophen-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]phenyl]ethanone
CID 17466011
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
2-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]sulfanylacetamide
CID 9490040

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide (CID 60556704) is 2-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide?
The InChIKey is RIJUPKJRMFJTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c20-14-5-7-15(8-6-14)22-9-11-23(12-10-22)19(25)16-3-1-2-4-17(16)26-13-18(21)24/h1-8H,9-13H2,(H2,21,24).
What are the key properties of 2-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide?
2-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide has a molecular weight of 389.91 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide is sourced from PubChem (CID 60556704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).