N-[(2,4-dimethylphenyl)carbamoyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide

C19H26N4O3S — CID 51329556

IUPACN-[(2,4-dimethylphenyl)carbamoyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
SMILESCOCCn1c(SCC(=O)NC(=O)Nc2ccc(C)cc2C)nc(C)c1C
InChIInChI=1S/C19H26N4O3S/c1-12-6-7-16(13(2)10-12)21-18(25)22-17(24)11-27-19-20-14(3)15(4)23(19)8-9-26-5/h6-7,10H,8-9,11H2,1-5H3,(H2,21,22,24,25)
InChIKeyNWUCXIVLRAFBMG-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.20
Rot. Bonds7

About N-[(2,4-dimethylphenyl)carbamoyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide

N-[(2,4-dimethylphenyl)carbamoyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide (PubChem CID 51329556) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamoyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamoyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
PubChem CID51329556
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-[(2,4-dimethylphenyl)carbamoyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
SMILESCOCCn1c(SCC(=O)NC(=O)Nc2ccc(C)cc2C)nc(C)c1C
InChIInChI=1S/C19H26N4O3S/c1-12-6-7-16(13(2)10-12)21-18(25)22-17(24)11-27-19-20-14(3)15(4)23(19)8-9-26-5/h6-7,10H,8-9,11H2,1-5H3,(H2,21,22,24,25)
InChIKeyNWUCXIVLRAFBMG-UHFFFAOYSA-N
XLogP3.20
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3214904
N-(2,4-dimethylphenyl)-2-[3-(2-methoxyethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 3173200
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
CID 46540785
2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 55640131
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40583448
N-(2,4-dimethylphenyl)-2-[[4-(2-methoxyethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3170119
N-[(2,4-dimethylphenyl)carbamoyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7352389
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 24650830
N-(2-bromo-4-methylphenyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide
CID 36835611
2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 55640445
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41424446
2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2485902

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide (CID 51329556) is N-[(2,4-dimethylphenyl)carbamoyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamoyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamoyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide is COCCn1c(SCC(=O)NC(=O)Nc2ccc(C)cc2C)nc(C)c1C.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamoyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide?
The InChIKey is NWUCXIVLRAFBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-12-6-7-16(13(2)10-12)21-18(25)22-17(24)11-27-19-20-14(3)15(4)23(19)8-9-26-5/h6-7,10H,8-9,11H2,1-5H3,(H2,21,22,24,25).
What are the key properties of N-[(2,4-dimethylphenyl)carbamoyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide?
N-[(2,4-dimethylphenyl)carbamoyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide has a molecular weight of 390.51 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamoyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 51329556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).