N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylcarbamoyl]phenyl]thiophene-2-carboxamide

C24H29N5O4S — CID 55381277

IUPACN-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCCCN(C(=O)c1cccc(NC(=O)c2cccs2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C24H29N5O4S/c1-3-5-12-28(19-20(25)29(13-6-4-2)24(33)27-22(19)31)23(32)16-9-7-10-17(15-16)26-21(30)18-11-8-14-34-18/h7-11,14-15H,3-6,12-13,25H2,1-2H3,(H,26,30)(H,27,31,33)
InChIKeyAUAWGXJWHOQNGN-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.68
Rot. Bonds10

About N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55381277) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID55381277
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC NameN-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCCCN(C(=O)c1cccc(NC(=O)c2cccs2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C24H29N5O4S/c1-3-5-12-28(19-20(25)29(13-6-4-2)24(33)27-22(19)31)23(32)16-9-7-10-17(15-16)26-21(30)18-11-8-14-34-18/h7-11,14-15H,3-6,12-13,25H2,1-2H3,(H,26,30)(H,27,31,33)
InChIKeyAUAWGXJWHOQNGN-UHFFFAOYSA-N
XLogP3.68
TPSA130.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylcarbamoyl]phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,4-difluorobenzamide
CID 30434613
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 26186064
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-methyl-N-(2-methylpropyl)benzamide
CID 8922784
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-chlorobenzamide
CID 4791007
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide
CID 16550113
N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 55542670
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(propan-2-ylsulfamoyl)benzamide
CID 16593377
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-2-(trifluoromethyl)benzamide
CID 26205785
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 55448114
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-methylsulfanylbenzamide
CID 26185536
1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea
CID 9438137
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2,3-dimethylbenzamide
CID 26186076

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 55381277) is N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylcarbamoyl]phenyl]thiophene-2-carboxamide is CCCCN(C(=O)c1cccc(NC(=O)c2cccs2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is AUAWGXJWHOQNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-3-5-12-28(19-20(25)29(13-6-4-2)24(33)27-22(19)31)23(32)16-9-7-10-17(15-16)26-21(30)18-11-8-14-34-18/h7-11,14-15H,3-6,12-13,25H2,1-2H3,(H,26,30)(H,27,31,33).
What are the key properties of N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 3.68, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55381277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).