N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]pentanamide

C24H32N4O2S — CID 54757741

IUPACN-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]pentanamide
SMILESCCCCC(=O)N(CCCN)C(CC)c1nc2ccsc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C24H32N4O2S/c1-3-5-12-21(29)27(15-9-14-25)20(4-2)23-26-19-13-16-31-22(19)24(30)28(23)17-18-10-7-6-8-11-18/h6-8,10-11,13,16,20H,3-5,9,12,14-15,17,25H2,1-2H3
InChIKeyNDMQEWRLRDQSCX-UHFFFAOYSA-N
MW440.61 g/mol
LogP4.32
Rot. Bonds11

About N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]pentanamide

N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]pentanamide (PubChem CID 54757741) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]pentanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]pentanamide
PubChem CID54757741
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC NameN-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]pentanamide
SMILESCCCCC(=O)N(CCCN)C(CC)c1nc2ccsc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C24H32N4O2S/c1-3-5-12-21(29)27(15-9-14-25)20(4-2)23-26-19-13-16-31-22(19)24(30)28(23)17-18-10-7-6-8-11-18/h6-8,10-11,13,16,20H,3-5,9,12,14-15,17,25H2,1-2H3
InChIKeyNDMQEWRLRDQSCX-UHFFFAOYSA-N
XLogP4.32
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]pentanamide?
The IUPAC name of N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]pentanamide (CID 54757741) is N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]pentanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]pentanamide?
The canonical SMILES for N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]pentanamide is CCCCC(=O)N(CCCN)C(CC)c1nc2ccsc2c(=O)n1Cc1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]pentanamide?
The InChIKey is NDMQEWRLRDQSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2S/c1-3-5-12-21(29)27(15-9-14-25)20(4-2)23-26-19-13-16-31-22(19)24(30)28(23)17-18-10-7-6-8-11-18/h6-8,10-11,13,16,20H,3-5,9,12,14-15,17,25H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]pentanamide?
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]pentanamide has a molecular weight of 440.61 g/mol, XLogP of 4.32, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]pentanamide is sourced from PubChem (CID 54757741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).