(2R)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide

C24H30N4O3S2 — CID 41291104

IUPAC(2R)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
SMILESCCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C24H30N4O3S2/c1-4-28-21-14-13-19(33(30,31)27-15-9-6-10-16-27)17-20(21)25-24(28)32-22(23(29)26(2)3)18-11-7-5-8-12-18/h5,7-8,11-14,17,22H,4,6,9-10,15-16H2,1-3H3/t22-/m1/s1
InChIKeyUCHYWFFQEMYBGO-JOCHJYFZSA-N
MW486.66 g/mol
LogP4.15
Rot. Bonds7

About (2R)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide

(2R)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide (PubChem CID 41291104) has the molecular formula C24H30N4O3S2 and a molecular weight of 486.66 g/mol. Its IUPAC name is (2R)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
PubChem CID41291104
Molecular FormulaC24H30N4O3S2
Molecular Weight486.66 g/mol
Exact Mass486.18
IUPAC Name(2R)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
SMILESCCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C24H30N4O3S2/c1-4-28-21-14-13-19(33(30,31)27-15-9-6-10-16-27)17-20(21)25-24(28)32-22(23(29)26(2)3)18-11-7-5-8-12-18/h5,7-8,11-14,17,22H,4,6,9-10,15-16H2,1-3H3/t22-/m1/s1
InChIKeyUCHYWFFQEMYBGO-JOCHJYFZSA-N
XLogP4.15
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide with MolForge

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Related Compounds

2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethylacetamide
CID 7625078
2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-phenylethanone
CID 17391703
2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 17449106
(2R)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
CID 41142135
2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-(2,4,6-trifluorophenyl)propan-1-one
CID 166337667
N-carbamoyl-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
CID 16514893
2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 16514875
(2S)-N,N-dimethyl-2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7602936
N-(2,6-difluorophenyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
CID 16514918
2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 4826957
N-cyclohexyl-3-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide
CID 55481888
1-(2-chlorophenyl)-N-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]-N-methylmethanamine
CID 4796879

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of (2R)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide (CID 41291104) is (2R)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide is CCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of (2R)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide?
The InChIKey is UCHYWFFQEMYBGO-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H30N4O3S2/c1-4-28-21-14-13-19(33(30,31)27-15-9-6-10-16-27)17-20(21)25-24(28)32-22(23(29)26(2)3)18-11-7-5-8-12-18/h5,7-8,11-14,17,22H,4,6,9-10,15-16H2,1-3H3/t22-/m1/s1.
What are the key properties of (2R)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide?
(2R)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide has a molecular weight of 486.66 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 41291104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).