N-(4-methylphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylamino]acetamide

C19H22N4O2S — CID 135957815

IUPACN-(4-methylphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(C)cc1)Cc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C19H22N4O2S/c1-3-9-23(12-17(24)20-14-6-4-13(2)5-7-14)11-16-21-15-8-10-26-18(15)19(25)22-16/h4-8,10H,3,9,11-12H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyPUOPDTKHZRZWCC-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.14
Rot. Bonds7

About N-(4-methylphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylamino]acetamide

N-(4-methylphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylamino]acetamide (PubChem CID 135957815) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylamino]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylamino]acetamide
PubChem CID135957815
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-(4-methylphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(C)cc1)Cc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C19H22N4O2S/c1-3-9-23(12-17(24)20-14-6-4-13(2)5-7-14)11-16-21-15-8-10-26-18(15)19(25)22-16/h4-8,10H,3,9,11-12H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyPUOPDTKHZRZWCC-UHFFFAOYSA-N
XLogP3.14
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-propylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135665494
N-[4-methyl-3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 167913801
2-methoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide
CID 136967428
2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135967980
N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 137294343
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 135809178
N-methyl-2-[4-(4-methylphenoxy)phenoxy]-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
CID 135925187
2-amino-N-[2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-2-oxoethyl]acetamide
CID 135968768
(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-(4-methylphenyl)thiophene-2-carboxylate
CID 135830204
N,2-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 137294354
N-methyl-4-[(E)-3-oxo-3-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylamino]prop-1-enyl]benzamide
CID 135939382
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-naphthalen-2-ylacetamide
CID 135892988

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylamino]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylamino]acetamide (CID 135957815) is N-(4-methylphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylamino]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylamino]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylamino]acetamide is CCCN(CC(=O)Nc1ccc(C)cc1)Cc1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of N-(4-methylphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylamino]acetamide?
The InChIKey is PUOPDTKHZRZWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-3-9-23(12-17(24)20-14-6-4-13(2)5-7-14)11-16-21-15-8-10-26-18(15)19(25)22-16/h4-8,10H,3,9,11-12H2,1-2H3,(H,20,24)(H,21,22,25).
What are the key properties of N-(4-methylphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylamino]acetamide?
N-(4-methylphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylamino]acetamide has a molecular weight of 370.48 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylamino]acetamide is sourced from PubChem (CID 135957815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).