4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide

C20H24ClN3O2S — CID 17148903

IUPAC4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1CN1CCN(C(=O)Nc2cccc(SC)c2)CC1
InChIInChI=1S/C20H24ClN3O2S/c1-26-19-7-6-16(21)12-15(19)14-23-8-10-24(11-9-23)20(25)22-17-4-3-5-18(13-17)27-2/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)
InChIKeyUQDSFCCJWKRARQ-UHFFFAOYSA-N
MW405.95 g/mol
LogP4.42
Rot. Bonds5

About 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide

4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide (PubChem CID 17148903) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
PubChem CID17148903
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC Name4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1CN1CCN(C(=O)Nc2cccc(SC)c2)CC1
InChIInChI=1S/C20H24ClN3O2S/c1-26-19-7-6-16(21)12-15(19)14-23-8-10-24(11-9-23)20(25)22-17-4-3-5-18(13-17)27-2/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)
InChIKeyUQDSFCCJWKRARQ-UHFFFAOYSA-N
XLogP4.42
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dimethoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
CID 17087524
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 17148906
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 17148904
N-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 17468033
N-[3-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide
CID 55830115
N-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108051
4-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 6467974
N-(2,4-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184642
1-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 55588565
1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea
CID 1259121
N-(4-chlorophenyl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 31773245
4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17377810

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide (CID 17148903) is 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide is COc1ccc(Cl)cc1CN1CCN(C(=O)Nc2cccc(SC)c2)CC1.
What is the InChIKey of 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide?
The InChIKey is UQDSFCCJWKRARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S/c1-26-19-7-6-16(21)12-15(19)14-23-8-10-24(11-9-23)20(25)22-17-4-3-5-18(13-17)27-2/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25).
What are the key properties of 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide?
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide has a molecular weight of 405.95 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 17148903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).