N-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

C24H25N5O4S — CID 166340750

IUPACN-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCC(C)c1ccc(C(CNC(=O)c2cc(=O)[nH]c(=O)[nH]2)NC(=O)c2cc3sccc3n2C)cc1
InChIInChI=1S/C24H25N5O4S/c1-13(2)14-4-6-15(7-5-14)17(12-25-22(31)16-10-21(30)28-24(33)27-16)26-23(32)19-11-20-18(29(19)3)8-9-34-20/h4-11,13,17H,12H2,1-3H3,(H,25,31)(H,26,32)(H2,27,28,30,33)
InChIKeyCGAWEHQANBPPBB-UHFFFAOYSA-N
MW479.56 g/mol
LogP2.64
Rot. Bonds7

About N-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

N-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 166340750) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID166340750
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC NameN-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCC(C)c1ccc(C(CNC(=O)c2cc(=O)[nH]c(=O)[nH]2)NC(=O)c2cc3sccc3n2C)cc1
InChIInChI=1S/C24H25N5O4S/c1-13(2)14-4-6-15(7-5-14)17(12-25-22(31)16-10-21(30)28-24(33)27-16)26-23(32)19-11-20-18(29(19)3)8-9-34-20/h4-11,13,17H,12H2,1-3H3,(H,25,31)(H,26,32)(H2,27,28,30,33)
InChIKeyCGAWEHQANBPPBB-UHFFFAOYSA-N
XLogP2.64
TPSA128.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 166340750) is N-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is CC(C)c1ccc(C(CNC(=O)c2cc(=O)[nH]c(=O)[nH]2)NC(=O)c2cc3sccc3n2C)cc1.
What is the InChIKey of N-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is CGAWEHQANBPPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-13(2)14-4-6-15(7-5-14)17(12-25-22(31)16-10-21(30)28-24(33)27-16)26-23(32)19-11-20-18(29(19)3)8-9-34-20/h4-11,13,17H,12H2,1-3H3,(H,25,31)(H,26,32)(H2,27,28,30,33).
What are the key properties of N-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 2.64, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 166340750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).