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

C24H26N4O3S — CID 54758125

IUPACN-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]furan-2-carboxamide
SMILESCCC(c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccco1
InChIInChI=1S/C24H26N4O3S/c1-2-19(27(13-7-12-25)23(29)20-10-6-14-31-20)22-26-18-11-15-32-21(18)24(30)28(22)16-17-8-4-3-5-9-17/h3-6,8-11,14-15,19H,2,7,12-13,16,25H2,1H3
InChIKeyQWORNXBUCBIEJA-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.04
Rot. Bonds9

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

N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]furan-2-carboxamide (PubChem CID 54758125) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]furan-2-carboxamide
PubChem CID54758125
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]furan-2-carboxamide
SMILESCCC(c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccco1
InChIInChI=1S/C24H26N4O3S/c1-2-19(27(13-7-12-25)23(29)20-10-6-14-31-20)22-26-18-11-15-32-21(18)24(30)28(22)16-17-8-4-3-5-9-17/h3-6,8-11,14-15,19H,2,7,12-13,16,25H2,1H3
InChIKeyQWORNXBUCBIEJA-UHFFFAOYSA-N
XLogP4.04
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]furan-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]furan-2-carboxamide (CID 54758125) is N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]furan-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]furan-2-carboxamide is CCC(c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccco1.
What is the InChIKey of N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]furan-2-carboxamide?
The InChIKey is QWORNXBUCBIEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-2-19(27(13-7-12-25)23(29)20-10-6-14-31-20)22-26-18-11-15-32-21(18)24(30)28(22)16-17-8-4-3-5-9-17/h3-6,8-11,14-15,19H,2,7,12-13,16,25H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]furan-2-carboxamide?
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]furan-2-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 7 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]furan-2-carboxamide is sourced from PubChem (CID 54758125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).