N-[4-[(dimethylamino)methyl]cyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide

C19H30N2OS — CID 75361908

IUPACN-[4-[(dimethylamino)methyl]cyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)NC2CCC(CN(C)C)CC2)c1
InChIInChI=1S/C19H30N2OS/c1-15-5-4-6-17(11-15)13-23-14-19(22)20-18-9-7-16(8-10-18)12-21(2)3/h4-6,11,16,18H,7-10,12-14H2,1-3H3,(H,20,22)
InChIKeyXRHFFCWTUDAOJN-UHFFFAOYSA-N
MW334.53 g/mol
LogP3.46
Rot. Bonds7

About N-[4-[(dimethylamino)methyl]cyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide

N-[4-[(dimethylamino)methyl]cyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide (PubChem CID 75361908) has the molecular formula C19H30N2OS and a molecular weight of 334.53 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]cyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]cyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
PubChem CID75361908
Molecular FormulaC19H30N2OS
Molecular Weight334.53 g/mol
Exact Mass334.21
IUPAC NameN-[4-[(dimethylamino)methyl]cyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)NC2CCC(CN(C)C)CC2)c1
InChIInChI=1S/C19H30N2OS/c1-15-5-4-6-17(11-15)13-23-14-19(22)20-18-9-7-16(8-10-18)12-21(2)3/h4-6,11,16,18H,7-10,12-14H2,1-3H3,(H,20,22)
InChIKeyXRHFFCWTUDAOJN-UHFFFAOYSA-N
XLogP3.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfanyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide
CID 11704258
2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide
CID 134047639
2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705373
N-[(1R,2R)-2-hydroxycyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 104927220
N-(4-aminocyclohexyl)-2-(3-methylphenyl)acetamide
CID 62387693
N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 47005023
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821768
N-(1-amino-2-methylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 119523361
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 119574242
2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N-cyclopropylacetamide
CID 114233465

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]cyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]cyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide (CID 75361908) is N-[4-[(dimethylamino)methyl]cyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]cyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]cyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide is Cc1cccc(CSCC(=O)NC2CCC(CN(C)C)CC2)c1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]cyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is XRHFFCWTUDAOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2OS/c1-15-5-4-6-17(11-15)13-23-14-19(22)20-18-9-7-16(8-10-18)12-21(2)3/h4-6,11,16,18H,7-10,12-14H2,1-3H3,(H,20,22).
What are the key properties of N-[4-[(dimethylamino)methyl]cyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
N-[4-[(dimethylamino)methyl]cyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 334.53 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]cyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 75361908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).