4-(2-chlorophenyl)-N-[2-[(S)-phenylsulfinyl]ethyl]piperazine-1-carboxamide

C19H22ClN3O2S — CID 97016345

IUPAC4-(2-chlorophenyl)-N-[2-[(S)-phenylsulfinyl]ethyl]piperazine-1-carboxamide
SMILESO=C(NCC[S@](=O)c1ccccc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H22ClN3O2S/c20-17-8-4-5-9-18(17)22-11-13-23(14-12-22)19(24)21-10-15-26(25)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,24)/t26-/m0/s1
InChIKeyAMOCFOIIRFVZCU-SANMLTNESA-N
MW391.92 g/mol
LogP2.98
Rot. Bonds5

About 4-(2-chlorophenyl)-N-[2-[(S)-phenylsulfinyl]ethyl]piperazine-1-carboxamide

4-(2-chlorophenyl)-N-[2-[(S)-phenylsulfinyl]ethyl]piperazine-1-carboxamide (PubChem CID 97016345) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[2-[(S)-phenylsulfinyl]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[2-[(S)-phenylsulfinyl]ethyl]piperazine-1-carboxamide
PubChem CID97016345
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name4-(2-chlorophenyl)-N-[2-[(S)-phenylsulfinyl]ethyl]piperazine-1-carboxamide
SMILESO=C(NCC[S@](=O)c1ccccc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H22ClN3O2S/c20-17-8-4-5-9-18(17)22-11-13-23(14-12-22)19(24)21-10-15-26(25)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,24)/t26-/m0/s1
InChIKeyAMOCFOIIRFVZCU-SANMLTNESA-N
XLogP2.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide
CID 3398224
(3R)-3-methyl-N-[2-[(S)-phenylsulfinyl]ethyl]piperidine-1-carboxamide
CID 97317437
N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113106629
4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 3669045
4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109446
3-[[4-(2,6-dichlorophenyl)piperazine-1-carbonyl]amino]propanoic acid
CID 122017871
N-[2-(benzenesulfinyl)ethyl]-4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 109451285
N-[2-(2-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108900383
(2R)-N-[2-(benzenesulfinyl)ethyl]-2-(2-chlorophenyl)-2-hydroxyacetamide
CID 75395234
4-(2-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide
CID 132971440
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
4-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide
CID 27537986

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[2-[(S)-phenylsulfinyl]ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[2-[(S)-phenylsulfinyl]ethyl]piperazine-1-carboxamide (CID 97016345) is 4-(2-chlorophenyl)-N-[2-[(S)-phenylsulfinyl]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[2-[(S)-phenylsulfinyl]ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[2-[(S)-phenylsulfinyl]ethyl]piperazine-1-carboxamide is O=C(NCC[S@](=O)c1ccccc1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[2-[(S)-phenylsulfinyl]ethyl]piperazine-1-carboxamide?
The InChIKey is AMOCFOIIRFVZCU-SANMLTNESA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c20-17-8-4-5-9-18(17)22-11-13-23(14-12-22)19(24)21-10-15-26(25)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,24)/t26-/m0/s1.
What are the key properties of 4-(2-chlorophenyl)-N-[2-[(S)-phenylsulfinyl]ethyl]piperazine-1-carboxamide?
4-(2-chlorophenyl)-N-[2-[(S)-phenylsulfinyl]ethyl]piperazine-1-carboxamide has a molecular weight of 391.92 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[2-[(S)-phenylsulfinyl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 97016345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).