N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(tert-butylsulfamoyl)furan-2-carboxamide

C18H23N3O5S — CID 48731730

IUPACN-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(tert-butylsulfamoyl)furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NC(Cc2ccccc2)C(N)=O)o1
InChIInChI=1S/C18H23N3O5S/c1-18(2,3)21-27(24,25)15-10-9-14(26-15)17(23)20-13(16(19)22)11-12-7-5-4-6-8-12/h4-10,13,21H,11H2,1-3H3,(H2,19,22)(H,20,23)
InChIKeyCODMOUKIQLXZDF-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.18
Rot. Bonds7

About N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(tert-butylsulfamoyl)furan-2-carboxamide

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(tert-butylsulfamoyl)furan-2-carboxamide (PubChem CID 48731730) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(tert-butylsulfamoyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(tert-butylsulfamoyl)furan-2-carboxamide
PubChem CID48731730
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(tert-butylsulfamoyl)furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NC(Cc2ccccc2)C(N)=O)o1
InChIInChI=1S/C18H23N3O5S/c1-18(2,3)21-27(24,25)15-10-9-14(26-15)17(23)20-13(16(19)22)11-12-7-5-4-6-8-12/h4-10,13,21H,11H2,1-3H3,(H2,19,22)(H,20,23)
InChIKeyCODMOUKIQLXZDF-UHFFFAOYSA-N
XLogP1.18
TPSA131.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(tert-butylsulfamoyl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]furan-2-carboxamide
CID 55656061
N-[1-(3-benzamidophenyl)ethyl]-5-(tert-butylsulfamoyl)furan-2-carboxamide
CID 55693793
5-(tert-butylsulfamoyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 55975340
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 546323
2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]butanoic acid
CID 119223928
(2R)-2-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]-3-phenylpropanoic acid
CID 119366856
methyl 2-[benzyl-[5-(tert-butylsulfamoyl)furan-2-carbonyl]amino]acetate
CID 55992465
5-(tert-butylsulfamoyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]furan-2-carboxamide
CID 55650141
2-(tert-butylsulfamoylamino)-3-phenylpropanoic acid
CID 114805224
pyridin-2-ylmethyl 5-(tert-butylsulfamoyl)furan-2-carboxylate
CID 86989733
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(tert-butylsulfamoyl)furan-2-carboxamide?
The IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(tert-butylsulfamoyl)furan-2-carboxamide (CID 48731730) is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(tert-butylsulfamoyl)furan-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(tert-butylsulfamoyl)furan-2-carboxamide?
The canonical SMILES for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(tert-butylsulfamoyl)furan-2-carboxamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NC(Cc2ccccc2)C(N)=O)o1.
What is the InChIKey of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(tert-butylsulfamoyl)furan-2-carboxamide?
The InChIKey is CODMOUKIQLXZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-18(2,3)21-27(24,25)15-10-9-14(26-15)17(23)20-13(16(19)22)11-12-7-5-4-6-8-12/h4-10,13,21H,11H2,1-3H3,(H2,19,22)(H,20,23).
What are the key properties of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(tert-butylsulfamoyl)furan-2-carboxamide?
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(tert-butylsulfamoyl)furan-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(tert-butylsulfamoyl)furan-2-carboxamide is sourced from PubChem (CID 48731730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).