(2S)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide

C23H28FN3O3S2 — CID 25312465

IUPAC(2S)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nc1
InChIInChI=1S/C23H28FN3O3S2/c1-27(19-5-3-2-4-6-19)32(29,30)20-13-14-21(25-15-20)31-22(23(28)26-18-11-12-18)16-7-9-17(24)10-8-16/h7-10,13-15,18-19,22H,2-6,11-12H2,1H3,(H,26,28)/t22-/m0/s1
InChIKeyYTVPGNFQEPYZNI-QFIPXVFZSA-N
MW477.63 g/mol
LogP4.29
Rot. Bonds8

About (2S)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide

(2S)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide (PubChem CID 25312465) has the molecular formula C23H28FN3O3S2 and a molecular weight of 477.63 g/mol. Its IUPAC name is (2S)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
PubChem CID25312465
Molecular FormulaC23H28FN3O3S2
Molecular Weight477.63 g/mol
Exact Mass477.16
IUPAC Name(2S)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nc1
InChIInChI=1S/C23H28FN3O3S2/c1-27(19-5-3-2-4-6-19)32(29,30)20-13-14-21(25-15-20)31-22(23(28)26-18-11-12-18)16-7-9-17(24)10-8-16/h7-10,13-15,18-19,22H,2-6,11-12H2,1H3,(H,26,28)/t22-/m0/s1
InChIKeyYTVPGNFQEPYZNI-QFIPXVFZSA-N
XLogP4.29
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide with MolForge

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Related Compounds

N-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide
CID 7491212
(2R)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7774961
(2R)-N-carbamoyl-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-3-methylbutanamide
CID 40938897
2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide
CID 7774946
N-cyclohexyl-6-[3-(4-fluorophenoxy)-2-hydroxypropyl]sulfanyl-N-methylpyridine-3-sulfonamide
CID 45352232
2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-prop-2-enylpropanamide
CID 42894237
(2R)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41403410
N-cyclohexyl-6-(2-hydroxy-4-phenylbutyl)sulfanyl-N-methylpyridine-3-sulfonamide
CID 154861439
N-cyclohexyl-N-methyl-6-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylpyridine-3-sulfonamide
CID 7491214
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-(2-cyanoethyl)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetamide
CID 7774968

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide?
The IUPAC name of (2S)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide (CID 25312465) is (2S)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for (2S)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide?
The canonical SMILES for (2S)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nc1.
What is the InChIKey of (2S)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide?
The InChIKey is YTVPGNFQEPYZNI-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H28FN3O3S2/c1-27(19-5-3-2-4-6-19)32(29,30)20-13-14-21(25-15-20)31-22(23(28)26-18-11-12-18)16-7-9-17(24)10-8-16/h7-10,13-15,18-19,22H,2-6,11-12H2,1H3,(H,26,28)/t22-/m0/s1.
What are the key properties of (2S)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide?
(2S)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide has a molecular weight of 477.63 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 25312465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).