N-cyclohexyl-N-methyl-2-[2-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide

C27H35N3O2S — CID 112766370

IUPACN-cyclohexyl-N-methyl-2-[2-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide
SMILESCc1ccccc1N1CCN(C(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C27H35N3O2S/c1-21-10-6-8-14-24(21)29-16-18-30(19-17-29)27(32)23-13-7-9-15-25(23)33-20-26(31)28(2)22-11-4-3-5-12-22/h6-10,13-15,22H,3-5,11-12,16-20H2,1-2H3
InChIKeyDVMLUEXBNGAHSF-UHFFFAOYSA-N
MW465.66 g/mol
LogP4.84
Rot. Bonds6

About N-cyclohexyl-N-methyl-2-[2-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide

N-cyclohexyl-N-methyl-2-[2-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide (PubChem CID 112766370) has the molecular formula C27H35N3O2S and a molecular weight of 465.66 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[2-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[2-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide
PubChem CID112766370
Molecular FormulaC27H35N3O2S
Molecular Weight465.66 g/mol
Exact Mass465.24
IUPAC NameN-cyclohexyl-N-methyl-2-[2-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide
SMILESCc1ccccc1N1CCN(C(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C27H35N3O2S/c1-21-10-6-8-14-24(21)29-16-18-30(19-17-29)27(32)23-13-7-9-15-25(23)33-20-26(31)28(2)22-11-4-3-5-12-22/h6-10,13-15,22H,3-5,11-12,16-20H2,1-2H3
InChIKeyDVMLUEXBNGAHSF-UHFFFAOYSA-N
XLogP4.84
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.66
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[2-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[2-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide (CID 112766370) is N-cyclohexyl-N-methyl-2-[2-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[2-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[2-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide is Cc1ccccc1N1CCN(C(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[2-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide?
The InChIKey is DVMLUEXBNGAHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2S/c1-21-10-6-8-14-24(21)29-16-18-30(19-17-29)27(32)23-13-7-9-15-25(23)33-20-26(31)28(2)22-11-4-3-5-12-22/h6-10,13-15,22H,3-5,11-12,16-20H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-2-[2-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide?
N-cyclohexyl-N-methyl-2-[2-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide has a molecular weight of 465.66 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[2-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide is sourced from PubChem (CID 112766370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).