N-[2-methyl-1-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide

C17H20N4O2S2 — CID 133296139

IUPACN-[2-methyl-1-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1ncnc2sc(-c3ccccc3)cc12)NS(C)(=O)=O
InChIInChI=1S/C17H20N4O2S2/c1-17(2,21-25(3,22)23)10-18-15-13-9-14(12-7-5-4-6-8-12)24-16(13)20-11-19-15/h4-9,11,21H,10H2,1-3H3,(H,18,19,20)
InChIKeyVCIKQYMTWKKNRN-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.10
Rot. Bonds6

About N-[2-methyl-1-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide

N-[2-methyl-1-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide (PubChem CID 133296139) has the molecular formula C17H20N4O2S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is N-[2-methyl-1-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide
PubChem CID133296139
Molecular FormulaC17H20N4O2S2
Molecular Weight376.51 g/mol
Exact Mass376.10
IUPAC NameN-[2-methyl-1-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1ncnc2sc(-c3ccccc3)cc12)NS(C)(=O)=O
InChIInChI=1S/C17H20N4O2S2/c1-17(2,21-25(3,22)23)10-18-15-13-9-14(12-7-5-4-6-8-12)24-16(13)20-11-19-15/h4-9,11,21H,10H2,1-3H3,(H,18,19,20)
InChIKeyVCIKQYMTWKKNRN-UHFFFAOYSA-N
XLogP3.10
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-methyl-1-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-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

N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4882445
2-methyl-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide
CID 9267128
N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4783172
ethyl 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 47081244
N-[4-(2-methylsulfonylethyl)phenyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133398054
N-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39085150
6-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 167844466
2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide
CID 133367589
N-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7831254
6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 127026467
N-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 17483718
(2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 28849500

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide (CID 133296139) is N-[2-methyl-1-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide is CC(C)(CNc1ncnc2sc(-c3ccccc3)cc12)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-1-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide?
The InChIKey is VCIKQYMTWKKNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S2/c1-17(2,21-25(3,22)23)10-18-15-13-9-14(12-7-5-4-6-8-12)24-16(13)20-11-19-15/h4-9,11,21H,10H2,1-3H3,(H,18,19,20).
What are the key properties of N-[2-methyl-1-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide?
N-[2-methyl-1-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide has a molecular weight of 376.51 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 133296139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).