2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide

C21H30N4OS — CID 60545973

IUPAC2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
SMILESCc1nc(SCC(=O)Nc2ccc(N(C)C)cc2)n(C2CCCCC2)c1C
InChIInChI=1S/C21H30N4OS/c1-15-16(2)25(19-8-6-5-7-9-19)21(22-15)27-14-20(26)23-17-10-12-18(13-11-17)24(3)4/h10-13,19H,5-9,14H2,1-4H3,(H,23,26)
InChIKeyCUVLNQUUDMQKGH-UHFFFAOYSA-N
MW386.57 g/mol
LogP4.80
Rot. Bonds6

About 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide

2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 60545973) has the molecular formula C21H30N4OS and a molecular weight of 386.57 g/mol. Its IUPAC name is 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID60545973
Molecular FormulaC21H30N4OS
Molecular Weight386.57 g/mol
Exact Mass386.21
IUPAC Name2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
SMILESCc1nc(SCC(=O)Nc2ccc(N(C)C)cc2)n(C2CCCCC2)c1C
InChIInChI=1S/C21H30N4OS/c1-15-16(2)25(19-8-6-5-7-9-19)21(22-15)27-14-20(26)23-17-10-12-18(13-11-17)24(3)4/h10-13,19H,5-9,14H2,1-4H3,(H,23,26)
InChIKeyCUVLNQUUDMQKGH-UHFFFAOYSA-N
XLogP4.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.57
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 7492618
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9291207
N-(1,3-benzodioxol-5-yl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide
CID 7492194
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1440839
butyl 4-[[2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]amino]benzoate
CID 7492327
2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1440417
2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 7492141
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 40657001
N-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide
CID 55375083
N-(4-bromophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16516706
1-cyclohexyl-4,5-dimethyl-2-(2-methylprop-2-enylsulfanyl)imidazole
CID 47111020
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 51190971

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide (CID 60545973) is 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide is Cc1nc(SCC(=O)Nc2ccc(N(C)C)cc2)n(C2CCCCC2)c1C.
What is the InChIKey of 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is CUVLNQUUDMQKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4OS/c1-15-16(2)25(19-8-6-5-7-9-19)21(22-15)27-14-20(26)23-17-10-12-18(13-11-17)24(3)4/h10-13,19H,5-9,14H2,1-4H3,(H,23,26).
What are the key properties of 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide?
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 386.57 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 60545973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).