N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

C23H29N3O2S — CID 7024475

IUPACN-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCCc1cccc(C)c1N(C(=O)CSc1nc2ccc(C)cc2[nH]1)[C@H](C)COC
InChIInChI=1S/C23H29N3O2S/c1-6-18-9-7-8-16(3)22(18)26(17(4)13-28-5)21(27)14-29-23-24-19-11-10-15(2)12-20(19)25-23/h7-12,17H,6,13-14H2,1-5H3,(H,24,25)/t17-/m1/s1
InChIKeyGSYKRHBKHPBDPE-QGZVFWFLSA-N
MW411.57 g/mol
LogP4.90
Rot. Bonds8

About N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 7024475) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID7024475
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC NameN-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCCc1cccc(C)c1N(C(=O)CSc1nc2ccc(C)cc2[nH]1)[C@H](C)COC
InChIInChI=1S/C23H29N3O2S/c1-6-18-9-7-8-16(3)22(18)26(17(4)13-28-5)21(27)14-29-23-24-19-11-10-15(2)12-20(19)25-23/h7-12,17H,6,13-14H2,1-5H3,(H,24,25)/t17-/m1/s1
InChIKeyGSYKRHBKHPBDPE-QGZVFWFLSA-N
XLogP4.90
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 7024475) is N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is CCc1cccc(C)c1N(C(=O)CSc1nc2ccc(C)cc2[nH]1)[C@H](C)COC.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is GSYKRHBKHPBDPE-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-6-18-9-7-8-16(3)22(18)26(17(4)13-28-5)21(27)14-29-23-24-19-11-10-15(2)12-20(19)25-23/h7-12,17H,6,13-14H2,1-5H3,(H,24,25)/t17-/m1/s1.
What are the key properties of N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 411.57 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 7024475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).