2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-N-(4-phenylmethoxyphenyl)propanamide

C24H24N4O3S — CID 136952558

IUPAC2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-N-(4-phenylmethoxyphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(OCc2ccccc2)cc1)N(C)Cc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C24H24N4O3S/c1-16(28(2)14-21-26-20-12-13-32-22(20)24(30)27-21)23(29)25-18-8-10-19(11-9-18)31-15-17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3,(H,25,29)(H,26,27,30)
InChIKeyWGIQDRNKMCUQPF-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.02
Rot. Bonds8

About 2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-N-(4-phenylmethoxyphenyl)propanamide

2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 136952558) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID136952558
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-N-(4-phenylmethoxyphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(OCc2ccccc2)cc1)N(C)Cc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C24H24N4O3S/c1-16(28(2)14-21-26-20-12-13-32-22(20)24(30)27-21)23(29)25-18-8-10-19(11-9-18)31-15-17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3,(H,25,29)(H,26,27,30)
InChIKeyWGIQDRNKMCUQPF-UHFFFAOYSA-N
XLogP4.02
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-N-(4-phenylmethoxyphenyl)propanamide 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

2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 46661412
(2R)-N-(4-chlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide
CID 135920487
(2S)-N-(4-chlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide
CID 135920488
2-methoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide
CID 136967428
2-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]thiophene-3-carboxamide
CID 135959612
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135777080
(2R)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 135898082
(2R)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide
CID 135877118
2-(4-bromophenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide
CID 135930615
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylsulfanylacetamide
CID 137294321
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide
CID 46561691

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-N-(4-phenylmethoxyphenyl)propanamide (CID 136952558) is 2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-N-(4-phenylmethoxyphenyl)propanamide is CC(C(=O)Nc1ccc(OCc2ccccc2)cc1)N(C)Cc1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of 2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is WGIQDRNKMCUQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-16(28(2)14-21-26-20-12-13-32-22(20)24(30)27-21)23(29)25-18-8-10-19(11-9-18)31-15-17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3,(H,25,29)(H,26,27,30).
What are the key properties of 2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-N-(4-phenylmethoxyphenyl)propanamide?
2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 448.55 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 136952558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).