2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-(3-sulfamoylphenyl)acetamide

C20H25N3O4S — CID 55682514

IUPAC2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-(3-sulfamoylphenyl)acetamide
SMILESCC1CC1c1ccc(CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C2CC2)o1
InChIInChI=1S/C20H25N3O4S/c1-13-9-18(13)19-8-7-16(27-19)11-23(15-5-6-15)12-20(24)22-14-3-2-4-17(10-14)28(21,25)26/h2-4,7-8,10,13,15,18H,5-6,9,11-12H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyHIZBGNJMPCLJRB-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.65
Rot. Bonds8

About 2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-(3-sulfamoylphenyl)acetamide

2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-(3-sulfamoylphenyl)acetamide (PubChem CID 55682514) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-(3-sulfamoylphenyl)acetamide
PubChem CID55682514
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-(3-sulfamoylphenyl)acetamide
SMILESCC1CC1c1ccc(CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C2CC2)o1
InChIInChI=1S/C20H25N3O4S/c1-13-9-18(13)19-8-7-16(27-19)11-23(15-5-6-15)12-20(24)22-14-3-2-4-17(10-14)28(21,25)26/h2-4,7-8,10,13,15,18H,5-6,9,11-12H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyHIZBGNJMPCLJRB-UHFFFAOYSA-N
XLogP2.65
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 41416990
2-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 41416992
1-cyclopropyl-3-(3-ethylsulfonylphenyl)-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea
CID 86973127
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 8905201
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetamide
CID 47030294
2-[cyclopropyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 37380628
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide
CID 129421681
N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
CID 42960439
2-methyl-N-(3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 47101138
ethyl N-[4-[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]methyl]-2-oxochromen-7-yl]carbamate
CID 55682556
4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine
CID 79116107
2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide
CID 86910871

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-(3-sulfamoylphenyl)acetamide (CID 55682514) is 2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-(3-sulfamoylphenyl)acetamide is CC1CC1c1ccc(CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C2CC2)o1.
What is the InChIKey of 2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is HIZBGNJMPCLJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-13-9-18(13)19-8-7-16(27-19)11-23(15-5-6-15)12-20(24)22-14-3-2-4-17(10-14)28(21,25)26/h2-4,7-8,10,13,15,18H,5-6,9,11-12H2,1H3,(H,22,24)(H2,21,25,26).
What are the key properties of 2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-(3-sulfamoylphenyl)acetamide?
2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 403.50 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 55682514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).