N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide

C18H18N4O4S — CID 58056239

IUPACN-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc(C(=O)NCCCO)ccc1NC(=O)c1csc2cncnc12
InChIInChI=1S/C18H18N4O4S/c1-26-14-7-11(17(24)20-5-2-6-23)3-4-13(14)22-18(25)12-9-27-15-8-19-10-21-16(12)15/h3-4,7-10,23H,2,5-6H2,1H3,(H,20,24)(H,22,25)
InChIKeyARKUZXFZQNELFG-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.06
Rot. Bonds7

About N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide

N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056239) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056239
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc(C(=O)NCCCO)ccc1NC(=O)c1csc2cncnc12
InChIInChI=1S/C18H18N4O4S/c1-26-14-7-11(17(24)20-5-2-6-23)3-4-13(14)22-18(25)12-9-27-15-8-19-10-21-16(12)15/h3-4,7-10,23H,2,5-6H2,1H3,(H,20,24)(H,22,25)
InChIKeyARKUZXFZQNELFG-UHFFFAOYSA-N
XLogP2.06
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]thieno[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

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056239) is N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide is COc1cc(C(=O)NCCCO)ccc1NC(=O)c1csc2cncnc12.
What is the InChIKey of N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is ARKUZXFZQNELFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-26-14-7-11(17(24)20-5-2-6-23)3-4-13(14)22-18(25)12-9-27-15-8-19-10-21-16(12)15/h3-4,7-10,23H,2,5-6H2,1H3,(H,20,24)(H,22,25).
What are the key properties of N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 2.06, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).