4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide

C18H20ClN3OS — CID 86987085

IUPAC4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
SMILESCSc1ccccc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H20ClN3OS/c1-24-17-8-3-2-7-16(17)20-18(23)22-11-9-21(10-12-22)15-6-4-5-14(19)13-15/h2-8,13H,9-12H2,1H3,(H,20,23)
InChIKeyVXPKWQWKOSGTCV-UHFFFAOYSA-N
MW361.90 g/mol
LogP4.42
Rot. Bonds3

About 4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide

4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide (PubChem CID 86987085) has the molecular formula C18H20ClN3OS and a molecular weight of 361.90 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
PubChem CID86987085
Molecular FormulaC18H20ClN3OS
Molecular Weight361.90 g/mol
Exact Mass361.10
IUPAC Name4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
SMILESCSc1ccccc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H20ClN3OS/c1-24-17-8-3-2-7-16(17)20-18(23)22-11-9-21(10-12-22)15-6-4-5-14(19)13-15/h2-8,13H,9-12H2,1H3,(H,20,23)
InChIKeyVXPKWQWKOSGTCV-UHFFFAOYSA-N
XLogP4.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 6467004
N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86987118
4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 18663039
4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide
CID 7595794
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
4-(3-chlorophenyl)-N-(2-methoxy-4-methylphenyl)piperazine-1-carboxamide
CID 60562585
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
N-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113096
N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108867549
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
N-[2-(2-chloroanilino)-2-oxoethyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 56761989

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide (CID 86987085) is 4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide is CSc1ccccc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide?
The InChIKey is VXPKWQWKOSGTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3OS/c1-24-17-8-3-2-7-16(17)20-18(23)22-11-9-21(10-12-22)15-6-4-5-14(19)13-15/h2-8,13H,9-12H2,1H3,(H,20,23).
What are the key properties of 4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide has a molecular weight of 361.90 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 86987085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).