2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-methyl-1H-imidazole-5-carboxamide;ethane

C17H24N4O4S — CID 163392546

IUPAC2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-methyl-1H-imidazole-5-carboxamide;ethane
SMILESCC.CNC(=O)c1cnc(SCC(=O)Nc2ccc(OC)c(OC)c2)[nH]1
InChIInChI=1S/C15H18N4O4S.C2H6/c1-16-14(21)10-7-17-15(19-10)24-8-13(20)18-9-4-5-11(22-2)12(6-9)23-3;1-2/h4-7H,8H2,1-3H3,(H,16,21)(H,17,19)(H,18,20);1-2H3
InChIKeyKECQEVFTZNNPGQ-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.54
Rot. Bonds7

About 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-methyl-1H-imidazole-5-carboxamide;ethane

2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-methyl-1H-imidazole-5-carboxamide;ethane (PubChem CID 163392546) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-methyl-1H-imidazole-5-carboxamide;ethane.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-methyl-1H-imidazole-5-carboxamide;ethane
PubChem CID163392546
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-methyl-1H-imidazole-5-carboxamide;ethane
SMILESCC.CNC(=O)c1cnc(SCC(=O)Nc2ccc(OC)c(OC)c2)[nH]1
InChIInChI=1S/C15H18N4O4S.C2H6/c1-16-14(21)10-7-17-15(19-10)24-8-13(20)18-9-4-5-11(22-2)12(6-9)23-3;1-2/h4-7H,8H2,1-3H3,(H,16,21)(H,17,19)(H,18,20);1-2H3
InChIKeyKECQEVFTZNNPGQ-UHFFFAOYSA-N
XLogP2.54
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2,2-dimethyl-1,3-dioxol-4-yl)methyl 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-1H-imidazole-5-carboxylate
CID 170552382
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 2042300
N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 16813592
methyl 2-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135780502
N-(3,4-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2478928
N-(3-chloro-4-methoxyphenyl)-2-[[5-(3,4-dimethoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 50799452
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 24628677
N-(3,4-dimethoxyphenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135888181
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708642
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 705246
2-[[4-[(2,6-dichlorophenyl)methyl]-5-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 135871150

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-methyl-1H-imidazole-5-carboxamide;ethane?
The IUPAC name of 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-methyl-1H-imidazole-5-carboxamide;ethane (CID 163392546) is 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-methyl-1H-imidazole-5-carboxamide;ethane.
What is the SMILES notation for 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-methyl-1H-imidazole-5-carboxamide;ethane?
The canonical SMILES for 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-methyl-1H-imidazole-5-carboxamide;ethane is CC.CNC(=O)c1cnc(SCC(=O)Nc2ccc(OC)c(OC)c2)[nH]1.
What is the InChIKey of 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-methyl-1H-imidazole-5-carboxamide;ethane?
The InChIKey is KECQEVFTZNNPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S.C2H6/c1-16-14(21)10-7-17-15(19-10)24-8-13(20)18-9-4-5-11(22-2)12(6-9)23-3;1-2/h4-7H,8H2,1-3H3,(H,16,21)(H,17,19)(H,18,20);1-2H3.
What are the key properties of 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-methyl-1H-imidazole-5-carboxamide;ethane?
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-methyl-1H-imidazole-5-carboxamide;ethane has a molecular weight of 380.47 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-methyl-1H-imidazole-5-carboxamide;ethane is sourced from PubChem (CID 163392546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).