N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C17H24N4O4S — CID 119976016

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCC(C)c1ccc(C(N)CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C17H24N4O4S/c1-11(2)12-5-7-13(8-6-12)14(18)9-19-26(24,25)15-10-20(3)17(23)21(4)16(15)22/h5-8,10-11,14,19H,9,18H2,1-4H3
InChIKeyRZAUNFUHXGPWOI-UHFFFAOYSA-N
MW380.47 g/mol
LogP0.19
Rot. Bonds6

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 119976016) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID119976016
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCC(C)c1ccc(C(N)CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C17H24N4O4S/c1-11(2)12-5-7-13(8-6-12)14(18)9-19-26(24,25)15-10-20(3)17(23)21(4)16(15)22/h5-8,10-11,14,19H,9,18H2,1-4H3
InChIKeyRZAUNFUHXGPWOI-UHFFFAOYSA-N
XLogP0.19
TPSA116.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide with MolForge

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Related Compounds

N-(2-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 102697533
1,3-dimethyl-2,4-dioxo-N-[(2R)-2-phenylbutyl]pyrimidine-5-sulfonamide
CID 26531792
N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
CID 119988336
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide
CID 75431092
N-(2-ethylhexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 51307194
N-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 62094209
1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide
CID 114616428
N-(2-chloroprop-2-enyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 115638560
1,3-dimethyl-N-(1-naphthalen-2-ylethyl)-2,4-dioxopyrimidine-5-sulfonamide
CID 51249055
1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine
CID 120874949
N-[(1R)-1-(3,4-diethoxyphenyl)-2-methylpropyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26201902
N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 107319460

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 119976016) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is CC(C)c1ccc(C(N)CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is RZAUNFUHXGPWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-11(2)12-5-7-13(8-6-12)14(18)9-19-26(24,25)15-10-20(3)17(23)21(4)16(15)22/h5-8,10-11,14,19H,9,18H2,1-4H3.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 380.47 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 119976016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).