N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide

C18H18ClN3O2S — CID 53197394

IUPACN-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1sc2c(=O)n(C(C)C)cnc2c1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O2S/c1-10(2)22-9-21-15-14(11(3)25-16(15)18(22)24)17(23)20-8-12-5-4-6-13(19)7-12/h4-7,9-10H,8H2,1-3H3,(H,20,23)
InChIKeyQVPOTEBTPSSWBP-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.93
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide

N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 53197394) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID53197394
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC NameN-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1sc2c(=O)n(C(C)C)cnc2c1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O2S/c1-10(2)22-9-21-15-14(11(3)25-16(15)18(22)24)17(23)20-8-12-5-4-6-13(19)7-12/h4-7,9-10H,8H2,1-3H3,(H,20,23)
InChIKeyQVPOTEBTPSSWBP-UHFFFAOYSA-N
XLogP3.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide 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

6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
CID 53197420
N-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
CID 53197408
1-benzyl-N-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 9209843
4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61017424
N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide
CID 1246739
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
N-[(3-fluorophenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide
CID 53167280
5-chloro-N-[(3-chlorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 149227651
(2R)-N-[(3-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2457939
N-[(3-chlorophenyl)methyl]-2-ethylbutanamide
CID 17071149
N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 51073119

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide (CID 53197394) is N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide is Cc1sc2c(=O)n(C(C)C)cnc2c1C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is QVPOTEBTPSSWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-10(2)22-9-21-15-14(11(3)25-16(15)18(22)24)17(23)20-8-12-5-4-6-13(19)7-12/h4-7,9-10H,8H2,1-3H3,(H,20,23).
What are the key properties of N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide?
N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 375.88 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 53197394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).