N-[[5-[[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide

C24H21N5O4S2 — CID 69210192

IUPACN-[[5-[[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide
SMILESNC1c2ccoc2N=CN1c1ccc(NS(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C24H21N5O4S2/c25-22-20-12-13-33-24(20)27-15-29(22)18-8-6-17(7-9-18)28-35(31,32)21-11-10-19(34-21)14-26-23(30)16-4-2-1-3-5-16/h1-13,15,22,28H,14,25H2,(H,26,30)
InChIKeyZDFBEWXJSRPXPQ-UHFFFAOYSA-N
MW507.60 g/mol
LogP4.21
Rot. Bonds7

About N-[[5-[[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide

N-[[5-[[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide (PubChem CID 69210192) has the molecular formula C24H21N5O4S2 and a molecular weight of 507.60 g/mol. Its IUPAC name is N-[[5-[[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-[[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide
PubChem CID69210192
Molecular FormulaC24H21N5O4S2
Molecular Weight507.60 g/mol
Exact Mass507.10
IUPAC NameN-[[5-[[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide
SMILESNC1c2ccoc2N=CN1c1ccc(NS(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C24H21N5O4S2/c25-22-20-12-13-33-24(20)27-15-29(22)18-8-6-17(7-9-18)28-35(31,32)21-11-10-19(34-21)14-26-23(30)16-4-2-1-3-5-16/h1-13,15,22,28H,14,25H2,(H,26,30)
InChIKeyZDFBEWXJSRPXPQ-UHFFFAOYSA-N
XLogP4.21
TPSA130.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.60
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[5-[[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide with MolForge

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Related Compounds

N-[[5-(phenylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 2823706
N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(4-cyano-1-methyl-5-methylsulfanylpyrazol-3-yl)thiophene-2-sulfonamide
CID 69206749
methyl 4-[[5-(benzamidomethyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoate
CID 71612287
N-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 2823724
4-(benzenesulfonamido)-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 32831454
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
N-[[5-[(4-methylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553822
ethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate
CID 16553849
N-[[5-(phenylsulfamoyl)thiophen-2-yl]methyl]-1λ3-iodacyclohepta-1,2,4,6-tetraene-4-carboxamide
CID 176526167
1-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea
CID 69208786
4-(benzenesulfonamido)-N-(furan-2-ylmethyl)benzamide
CID 2982615
5-(2-aminoethyl)-N-phenylthiophene-2-sulfonamide
CID 43520785

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide?
The IUPAC name of N-[[5-[[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide (CID 69210192) is N-[[5-[[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-[[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide?
The canonical SMILES for N-[[5-[[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide is NC1c2ccoc2N=CN1c1ccc(NS(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2)cc1.
What is the InChIKey of N-[[5-[[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide?
The InChIKey is ZDFBEWXJSRPXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4S2/c25-22-20-12-13-33-24(20)27-15-29(22)18-8-6-17(7-9-18)28-35(31,32)21-11-10-19(34-21)14-26-23(30)16-4-2-1-3-5-16/h1-13,15,22,28H,14,25H2,(H,26,30).
What are the key properties of N-[[5-[[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide?
N-[[5-[[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide has a molecular weight of 507.60 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 69210192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).