N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide

C18H19N5O6S — CID 108788701

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)CCn3ccc(=O)[nH]c3=O)cc2)c1C
InChIInChI=1S/C18H19N5O6S/c1-11-12(2)21-29-17(11)22-30(27,28)14-5-3-13(4-6-14)19-15(24)7-9-23-10-8-16(25)20-18(23)26/h3-6,8,10,22H,7,9H2,1-2H3,(H,19,24)(H,20,25,26)
InChIKeyMLCGELMKGIEFJR-UHFFFAOYSA-N
MW433.45 g/mol
LogP0.97
Rot. Bonds7

About N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide (PubChem CID 108788701) has the molecular formula C18H19N5O6S and a molecular weight of 433.45 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
PubChem CID108788701
Molecular FormulaC18H19N5O6S
Molecular Weight433.45 g/mol
Exact Mass433.11
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)CCn3ccc(=O)[nH]c3=O)cc2)c1C
InChIInChI=1S/C18H19N5O6S/c1-11-12(2)21-29-17(11)22-30(27,28)14-5-3-13(4-6-14)19-15(24)7-9-23-10-8-16(25)20-18(23)26/h3-6,8,10,22H,7,9H2,1-2H3,(H,19,24)(H,20,25,26)
InChIKeyMLCGELMKGIEFJR-UHFFFAOYSA-N
XLogP0.97
TPSA156.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate
CID 841728
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 5046522
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide
CID 108795812
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)acetamide
CID 987756
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 659894
3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide
CID 108788631
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 1106454
3-(2,4-dioxopyrimidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 108801580
2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4119855
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethylbutanamide
CID 3456725
2-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
CID 2894223
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 19225858

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide (CID 108788701) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCn3ccc(=O)[nH]c3=O)cc2)c1C.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The InChIKey is MLCGELMKGIEFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O6S/c1-11-12(2)21-29-17(11)22-30(27,28)14-5-3-13(4-6-14)19-15(24)7-9-23-10-8-16(25)20-18(23)26/h3-6,8,10,22H,7,9H2,1-2H3,(H,19,24)(H,20,25,26).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide has a molecular weight of 433.45 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 108788701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).