N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide

C26H33N5O3S — CID 55412491

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2)C(=O)CN2CCc3sccc3C2CC)c(=O)[nH]c1=O
InChIInChI=1S/C26H33N5O3S/c1-3-5-13-30-24(27)23(25(33)28-26(30)34)31(16-18-9-7-6-8-10-18)22(32)17-29-14-11-21-19(12-15-35-21)20(29)4-2/h6-10,12,15,20H,3-5,11,13-14,16-17,27H2,1-2H3,(H,28,33,34)
InChIKeyYFTKDULKRXEXIG-UHFFFAOYSA-N
MW495.65 g/mol
LogP3.52
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (PubChem CID 55412491) has the molecular formula C26H33N5O3S and a molecular weight of 495.65 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
PubChem CID55412491
Molecular FormulaC26H33N5O3S
Molecular Weight495.65 g/mol
Exact Mass495.23
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2)C(=O)CN2CCc3sccc3C2CC)c(=O)[nH]c1=O
InChIInChI=1S/C26H33N5O3S/c1-3-5-13-30-24(27)23(25(33)28-26(30)34)31(16-18-9-7-6-8-10-18)22(32)17-29-14-11-21-19(12-15-35-21)20(29)4-2/h6-10,12,15,20H,3-5,11,13-14,16-17,27H2,1-2H3,(H,28,33,34)
InChIKeyYFTKDULKRXEXIG-UHFFFAOYSA-N
XLogP3.52
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (CID 55412491) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CN2CCc3sccc3C2CC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The InChIKey is YFTKDULKRXEXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3S/c1-3-5-13-30-24(27)23(25(33)28-26(30)34)31(16-18-9-7-6-8-10-18)22(32)17-29-14-11-21-19(12-15-35-21)20(29)4-2/h6-10,12,15,20H,3-5,11,13-14,16-17,27H2,1-2H3,(H,28,33,34).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide has a molecular weight of 495.65 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 55412491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).