2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C19H29N3O4S2 — CID 40681007

IUPAC2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(SCC(=O)NC[C@H]2CCCO2)nc1
InChIInChI=1S/C19H29N3O4S2/c1-22(15-6-3-2-4-7-15)28(24,25)17-9-10-19(21-13-17)27-14-18(23)20-12-16-8-5-11-26-16/h9-10,13,15-16H,2-8,11-12,14H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyBXGPGVYMZXKELQ-MRXNPFEDSA-N
MW427.59 g/mol
LogP2.42
Rot. Bonds8

About 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 40681007) has the molecular formula C19H29N3O4S2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID40681007
Molecular FormulaC19H29N3O4S2
Molecular Weight427.59 g/mol
Exact Mass427.16
IUPAC Name2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(SCC(=O)NC[C@H]2CCCO2)nc1
InChIInChI=1S/C19H29N3O4S2/c1-22(15-6-3-2-4-7-15)28(24,25)17-9-10-19(21-13-17)27-14-18(23)20-12-16-8-5-11-26-16/h9-10,13,15-16H,2-8,11-12,14H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyBXGPGVYMZXKELQ-MRXNPFEDSA-N
XLogP2.42
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide
CID 7774946
N-(2-cyanoethyl)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetamide
CID 7774968
ethyl N-[2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetyl]carbamate
CID 7774962
6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide
CID 24530973
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 41042274
N-[[(2S)-oxolan-2-yl]methyl]-2-[[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 95098181
2-[4-(dimethylsulfamoyl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 27261642
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 2917382
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2500205
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55526751
2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41084350
2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41459678

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 40681007) is 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(SCC(=O)NC[C@H]2CCCO2)nc1.
What is the InChIKey of 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is BXGPGVYMZXKELQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O4S2/c1-22(15-6-3-2-4-7-15)28(24,25)17-9-10-19(21-13-17)27-14-18(23)20-12-16-8-5-11-26-16/h9-10,13,15-16H,2-8,11-12,14H2,1H3,(H,20,23)/t16-/m1/s1.
What are the key properties of 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 427.59 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 40681007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).