N-[1-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-methylpropan-2-yl]methanesulfonamide

C15H18N4O3S — CID 133296162

IUPACN-[1-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1ncnc2c1oc1ccccc12)NS(C)(=O)=O
InChIInChI=1S/C15H18N4O3S/c1-15(2,19-23(3,20)21)8-16-14-13-12(17-9-18-14)10-6-4-5-7-11(10)22-13/h4-7,9,19H,8H2,1-3H3,(H,16,17,18)
InChIKeyLRNROCGRKUHPHW-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.12
Rot. Bonds5

About N-[1-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-methylpropan-2-yl]methanesulfonamide

N-[1-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 133296162) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[1-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-methylpropan-2-yl]methanesulfonamide
PubChem CID133296162
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[1-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1ncnc2c1oc1ccccc12)NS(C)(=O)=O
InChIInChI=1S/C15H18N4O3S/c1-15(2,19-23(3,20)21)8-16-14-13-12(17-9-18-14)10-6-4-5-7-11(10)22-13/h4-7,9,19H,8H2,1-3H3,(H,16,17,18)
InChIKeyLRNROCGRKUHPHW-UHFFFAOYSA-N
XLogP2.12
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-methylpropan-2-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide
CID 60507824
N-[2-(benzenesulfonyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 75415291
N-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 8005233
N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4678850
5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanenitrile
CID 133299937
N-[(2R)-2-ethylhexyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2311028
3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-N-benzylpropanamide
CID 133279534
N-[(3-fluoro-4-methylphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 134032116
4-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]benzonitrile
CID 91641638
N-[[(2R)-oxolan-2-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2067836
N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3599381
N-[2-(4-methylpyrazol-1-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133281821

Frequently Asked Questions

What is the IUPAC name of N-[1-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-methylpropan-2-yl]methanesulfonamide (CID 133296162) is N-[1-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNc1ncnc2c1oc1ccccc12)NS(C)(=O)=O.
What is the InChIKey of N-[1-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is LRNROCGRKUHPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-15(2,19-23(3,20)21)8-16-14-13-12(17-9-18-14)10-6-4-5-7-11(10)22-13/h4-7,9,19H,8H2,1-3H3,(H,16,17,18).
What are the key properties of N-[1-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-methylpropan-2-yl]methanesulfonamide?
N-[1-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 133296162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).