methyl 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-2-ethylimidazol-1-yl]acetate

C18H19N5O4S — CID 170949696

IUPACmethyl 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-2-ethylimidazol-1-yl]acetate
SMILESCCc1nc(S(=O)(=O)Nc2ccc(C)c3c(C#N)c[nH]c23)cn1CC(=O)OC
InChIInChI=1S/C18H19N5O4S/c1-4-14-21-15(9-23(14)10-16(24)27-3)28(25,26)22-13-6-5-11(2)17-12(7-19)8-20-18(13)17/h5-6,8-9,20,22H,4,10H2,1-3H3
InChIKeyZRBJDPWNMGZXSP-UHFFFAOYSA-N
MW401.45 g/mol
LogP2.08
Rot. Bonds6

About methyl 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-2-ethylimidazol-1-yl]acetate

methyl 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-2-ethylimidazol-1-yl]acetate (PubChem CID 170949696) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is methyl 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-2-ethylimidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-2-ethylimidazol-1-yl]acetate
PubChem CID170949696
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC Namemethyl 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-2-ethylimidazol-1-yl]acetate
SMILESCCc1nc(S(=O)(=O)Nc2ccc(C)c3c(C#N)c[nH]c23)cn1CC(=O)OC
InChIInChI=1S/C18H19N5O4S/c1-4-14-21-15(9-23(14)10-16(24)27-3)28(25,26)22-13-6-5-11(2)17-12(7-19)8-20-18(13)17/h5-6,8-9,20,22H,4,10H2,1-3H3
InChIKeyZRBJDPWNMGZXSP-UHFFFAOYSA-N
XLogP2.08
TPSA129.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-2-ethylimidazol-1-yl]acetate with MolForge

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Related Compounds

N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155708776
methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate
CID 155116653
3-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-sulfonamide
CID 155193590
2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide
CID 171055458
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
CID 155193431
2-[4-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoyl]amino]imidazol-1-yl]acetic acid
CID 167828382
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide
CID 171055436
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-(piperazine-1-carbonyl)-1,3-thiazole-2-sulfonamide
CID 171664622
2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)acetamide
CID 155708771
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide
CID 155116684
1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid
CID 170332020
5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 155193520

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-2-ethylimidazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-2-ethylimidazol-1-yl]acetate (CID 170949696) is methyl 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-2-ethylimidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-2-ethylimidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-2-ethylimidazol-1-yl]acetate is CCc1nc(S(=O)(=O)Nc2ccc(C)c3c(C#N)c[nH]c23)cn1CC(=O)OC.
What is the InChIKey of methyl 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-2-ethylimidazol-1-yl]acetate?
The InChIKey is ZRBJDPWNMGZXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-4-14-21-15(9-23(14)10-16(24)27-3)28(25,26)22-13-6-5-11(2)17-12(7-19)8-20-18(13)17/h5-6,8-9,20,22H,4,10H2,1-3H3.
What are the key properties of methyl 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-2-ethylimidazol-1-yl]acetate?
methyl 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-2-ethylimidazol-1-yl]acetate has a molecular weight of 401.45 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-2-ethylimidazol-1-yl]acetate is sourced from PubChem (CID 170949696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).