N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(cyclopropylsulfamoyl)-N-(2-methoxyethyl)benzamide

C21H29N5O6S — CID 55360059

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(cyclopropylsulfamoyl)-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C21H29N5O6S/c1-13(2)12-26-18(22)17(19(27)23-21(26)29)25(9-10-32-3)20(28)14-5-4-6-16(11-14)33(30,31)24-15-7-8-15/h4-6,11,13,15,24H,7-10,12,22H2,1-3H3,(H,23,27,29)
InChIKeySRRPLOSUCNHBJW-UHFFFAOYSA-N
MW479.56 g/mol
LogP0.51
Rot. Bonds10

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(cyclopropylsulfamoyl)-N-(2-methoxyethyl)benzamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(cyclopropylsulfamoyl)-N-(2-methoxyethyl)benzamide (PubChem CID 55360059) has the molecular formula C21H29N5O6S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(cyclopropylsulfamoyl)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(cyclopropylsulfamoyl)-N-(2-methoxyethyl)benzamide
PubChem CID55360059
Molecular FormulaC21H29N5O6S
Molecular Weight479.56 g/mol
Exact Mass479.18
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(cyclopropylsulfamoyl)-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C21H29N5O6S/c1-13(2)12-26-18(22)17(19(27)23-21(26)29)25(9-10-32-3)20(28)14-5-4-6-16(11-14)33(30,31)24-15-7-8-15/h4-6,11,13,15,24H,7-10,12,22H2,1-3H3,(H,23,27,29)
InChIKeySRRPLOSUCNHBJW-UHFFFAOYSA-N
XLogP0.51
TPSA156.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(cyclopropylsulfamoyl)-N-pentylbenzamide
CID 55360312
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-5-methoxy-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55383112
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide
CID 55340674
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3-(oxolan-2-yl)propanamide
CID 55605547
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 30137077
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide
CID 55666594
ethyl 4-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]benzoate
CID 24614988
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylnaphthalene-2-carboxamide
CID 26211447
(E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3-(3-nitrophenyl)prop-2-enamide
CID 26211770
4-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 55545228
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-bromophenoxy)-N-(2-methoxyethyl)acetamide
CID 26211787
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 43024706

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(cyclopropylsulfamoyl)-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(cyclopropylsulfamoyl)-N-(2-methoxyethyl)benzamide (CID 55360059) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(cyclopropylsulfamoyl)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(cyclopropylsulfamoyl)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(cyclopropylsulfamoyl)-N-(2-methoxyethyl)benzamide is COCCN(C(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(cyclopropylsulfamoyl)-N-(2-methoxyethyl)benzamide?
The InChIKey is SRRPLOSUCNHBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O6S/c1-13(2)12-26-18(22)17(19(27)23-21(26)29)25(9-10-32-3)20(28)14-5-4-6-16(11-14)33(30,31)24-15-7-8-15/h4-6,11,13,15,24H,7-10,12,22H2,1-3H3,(H,23,27,29).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(cyclopropylsulfamoyl)-N-(2-methoxyethyl)benzamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(cyclopropylsulfamoyl)-N-(2-methoxyethyl)benzamide has a molecular weight of 479.56 g/mol, XLogP of 0.51, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(cyclopropylsulfamoyl)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 55360059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).