N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide

C27H35N5O5S — CID 24980898

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C27H35N5O5S/c1-5-7-17-30-24(28)23(25(33)29-27(30)35)31(18-19(3)4)26(34)20-13-15-22(16-14-20)38(36,37)32(6-2)21-11-9-8-10-12-21/h8-16,19H,5-7,17-18,28H2,1-4H3,(H,29,33,35)
InChIKeyVDJWHWJQNCPQRO-UHFFFAOYSA-N
MW541.67 g/mol
LogP3.44
Rot. Bonds11

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide (PubChem CID 24980898) has the molecular formula C27H35N5O5S and a molecular weight of 541.67 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
PubChem CID24980898
Molecular FormulaC27H35N5O5S
Molecular Weight541.67 g/mol
Exact Mass541.24
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C27H35N5O5S/c1-5-7-17-30-24(28)23(25(33)29-27(30)35)31(18-19(3)4)26(34)20-13-15-22(16-14-20)38(36,37)32(6-2)21-11-9-8-10-12-21/h8-16,19H,5-7,17-18,28H2,1-4H3,(H,29,33,35)
InChIKeyVDJWHWJQNCPQRO-UHFFFAOYSA-N
XLogP3.44
TPSA138.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.67
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 8922741
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 16550078
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(2-methylpropyl)benzamide
CID 8922762
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)benzamide
CID 26200695
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3,5-bis(trifluoromethyl)benzamide
CID 26200722
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 43038159
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(2-methylpropyl)benzamide
CID 18084094
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(propan-2-ylsulfamoyl)-N-propylbenzamide
CID 16594295
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-(2-methylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55382960
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide
CID 55338202
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-methylpropyl)benzamide
CID 30826009

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide (CID 24980898) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide is CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide?
The InChIKey is VDJWHWJQNCPQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O5S/c1-5-7-17-30-24(28)23(25(33)29-27(30)35)31(18-19(3)4)26(34)20-13-15-22(16-14-20)38(36,37)32(6-2)21-11-9-8-10-12-21/h8-16,19H,5-7,17-18,28H2,1-4H3,(H,29,33,35).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide has a molecular weight of 541.67 g/mol, XLogP of 3.44, 11 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)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 24980898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).