N-(cyclohexen-1-yl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-propylacetamide

C18H27N3O3S2 — CID 17484516

IUPACN-(cyclohexen-1-yl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-propylacetamide
SMILESCCCN(C(=O)CSc1ccc(S(=O)(=O)N(C)C)cn1)C1=CCCCC1
InChIInChI=1S/C18H27N3O3S2/c1-4-12-21(15-8-6-5-7-9-15)18(22)14-25-17-11-10-16(13-19-17)26(23,24)20(2)3/h8,10-11,13H,4-7,9,12,14H2,1-3H3
InChIKeyCCMVXGGBACFRNI-UHFFFAOYSA-N
MW397.57 g/mol
LogP3.12
Rot. Bonds8

About N-(cyclohexen-1-yl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-propylacetamide

N-(cyclohexen-1-yl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-propylacetamide (PubChem CID 17484516) has the molecular formula C18H27N3O3S2 and a molecular weight of 397.57 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-propylacetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-propylacetamide
PubChem CID17484516
Molecular FormulaC18H27N3O3S2
Molecular Weight397.57 g/mol
Exact Mass397.15
IUPAC NameN-(cyclohexen-1-yl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-propylacetamide
SMILESCCCN(C(=O)CSc1ccc(S(=O)(=O)N(C)C)cn1)C1=CCCCC1
InChIInChI=1S/C18H27N3O3S2/c1-4-12-21(15-8-6-5-7-9-15)18(22)14-25-17-11-10-16(13-19-17)26(23,24)20(2)3/h8,10-11,13H,4-7,9,12,14H2,1-3H3
InChIKeyCCMVXGGBACFRNI-UHFFFAOYSA-N
XLogP3.12
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-propylacetamide?
The IUPAC name of N-(cyclohexen-1-yl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-propylacetamide (CID 17484516) is N-(cyclohexen-1-yl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-propylacetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-propylacetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-propylacetamide is CCCN(C(=O)CSc1ccc(S(=O)(=O)N(C)C)cn1)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-propylacetamide?
The InChIKey is CCMVXGGBACFRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S2/c1-4-12-21(15-8-6-5-7-9-15)18(22)14-25-17-11-10-16(13-19-17)26(23,24)20(2)3/h8,10-11,13H,4-7,9,12,14H2,1-3H3.
What are the key properties of N-(cyclohexen-1-yl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-propylacetamide?
N-(cyclohexen-1-yl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-propylacetamide has a molecular weight of 397.57 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-propylacetamide is sourced from PubChem (CID 17484516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).