N-[2-(dimethylamino)ethyl]-1,3-dimethyl-2,4-dioxo-N-phenylpyrimidine-5-sulfonamide

C16H22N4O4S — CID 60604234

IUPACN-[2-(dimethylamino)ethyl]-1,3-dimethyl-2,4-dioxo-N-phenylpyrimidine-5-sulfonamide
SMILESCN(C)CCN(c1ccccc1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C16H22N4O4S/c1-17(2)10-11-20(13-8-6-5-7-9-13)25(23,24)14-12-18(3)16(22)19(4)15(14)21/h5-9,12H,10-11H2,1-4H3
InChIKeyFUNFWHYCPKKQAI-UHFFFAOYSA-N
MW366.44 g/mol
LogP-0.16
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-1,3-dimethyl-2,4-dioxo-N-phenylpyrimidine-5-sulfonamide

N-[2-(dimethylamino)ethyl]-1,3-dimethyl-2,4-dioxo-N-phenylpyrimidine-5-sulfonamide (PubChem CID 60604234) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1,3-dimethyl-2,4-dioxo-N-phenylpyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1,3-dimethyl-2,4-dioxo-N-phenylpyrimidine-5-sulfonamide
PubChem CID60604234
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC NameN-[2-(dimethylamino)ethyl]-1,3-dimethyl-2,4-dioxo-N-phenylpyrimidine-5-sulfonamide
SMILESCN(C)CCN(c1ccccc1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C16H22N4O4S/c1-17(2)10-11-20(13-8-6-5-7-9-13)25(23,24)14-12-18(3)16(22)19(4)15(14)21/h5-9,12H,10-11H2,1-4H3
InChIKeyFUNFWHYCPKKQAI-UHFFFAOYSA-N
XLogP-0.16
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-aminoethyl)-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 61349508
N-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide
CID 60609634
N-(2,3-dimethylphenyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 47063231
N-(azetidin-3-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 66187107
N-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 60604204
N-[2-(dimethylamino)ethyl]-2-methyl-5-nitro-N-phenylbenzenesulfonamide
CID 47085851
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 107493871
N-[2-(dimethylamino)ethyl]-2-methoxy-5-nitro-N-phenylbenzenesulfonamide
CID 60604235
N-[(2,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 31818327
N-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26531386
N-ethyl-1,4,7-trimethyl-2,3-dioxo-N-phenylquinoxaline-6-sulfonamide
CID 20914041
N,1,3-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrimidine-5-sulfonamide
CID 131931431

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1,3-dimethyl-2,4-dioxo-N-phenylpyrimidine-5-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1,3-dimethyl-2,4-dioxo-N-phenylpyrimidine-5-sulfonamide (CID 60604234) is N-[2-(dimethylamino)ethyl]-1,3-dimethyl-2,4-dioxo-N-phenylpyrimidine-5-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1,3-dimethyl-2,4-dioxo-N-phenylpyrimidine-5-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1,3-dimethyl-2,4-dioxo-N-phenylpyrimidine-5-sulfonamide is CN(C)CCN(c1ccccc1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1,3-dimethyl-2,4-dioxo-N-phenylpyrimidine-5-sulfonamide?
The InChIKey is FUNFWHYCPKKQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-17(2)10-11-20(13-8-6-5-7-9-13)25(23,24)14-12-18(3)16(22)19(4)15(14)21/h5-9,12H,10-11H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-1,3-dimethyl-2,4-dioxo-N-phenylpyrimidine-5-sulfonamide?
N-[2-(dimethylamino)ethyl]-1,3-dimethyl-2,4-dioxo-N-phenylpyrimidine-5-sulfonamide has a molecular weight of 366.44 g/mol, XLogP of -0.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1,3-dimethyl-2,4-dioxo-N-phenylpyrimidine-5-sulfonamide is sourced from PubChem (CID 60604234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).