N-[3-(methanesulfonamido)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

C13H14N4O5S — CID 56766087

IUPACN-[3-(methanesulfonamido)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c1=O
InChIInChI=1S/C13H14N4O5S/c1-17-12(19)10(7-14-13(17)20)11(18)15-8-4-3-5-9(6-8)16-23(2,21)22/h3-7,16H,1-2H3,(H,14,20)(H,15,18)
InChIKeyDGSDEPBAXBOIDM-UHFFFAOYSA-N
MW338.35 g/mol
LogP-0.30
Rot. Bonds4

About N-[3-(methanesulfonamido)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[3-(methanesulfonamido)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 56766087) has the molecular formula C13H14N4O5S and a molecular weight of 338.35 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID56766087
Molecular FormulaC13H14N4O5S
Molecular Weight338.35 g/mol
Exact Mass338.07
IUPAC NameN-[3-(methanesulfonamido)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c1=O
InChIInChI=1S/C13H14N4O5S/c1-17-12(19)10(7-14-13(17)20)11(18)15-8-4-3-5-9(6-8)16-23(2,21)22/h3-7,16H,1-2H3,(H,14,20)(H,15,18)
InChIKeyDGSDEPBAXBOIDM-UHFFFAOYSA-N
XLogP-0.30
TPSA130.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-(methanesulfonamido)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-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-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025230
N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 4098818
3-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
CID 121025257
N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 130708433
N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide
CID 28635588
N-[3-(methanesulfonamido)phenyl]-3-phenylbenzamide
CID 169152254
N-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025290
3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 5142971
N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025685
N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025213
N-benzhydryl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025253
3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide
CID 95366506

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 56766087) is N-[3-(methanesulfonamido)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is Cn1c(=O)[nH]cc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c1=O.
What is the InChIKey of N-[3-(methanesulfonamido)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is DGSDEPBAXBOIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O5S/c1-17-12(19)10(7-14-13(17)20)11(18)15-8-4-3-5-9(6-8)16-23(2,21)22/h3-7,16H,1-2H3,(H,14,20)(H,15,18).
What are the key properties of N-[3-(methanesulfonamido)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[3-(methanesulfonamido)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 338.35 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56766087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).