3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide

C19H26N4O4S — CID 131939568

IUPAC3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCCNC(=O)CCc2c(C)nc(=O)[nH]c2C)cc1
InChIInChI=1S/C19H26N4O4S/c1-13-5-7-16(8-6-13)28(26,27)21-12-4-11-20-18(24)10-9-17-14(2)22-19(25)23-15(17)3/h5-8,21H,4,9-12H2,1-3H3,(H,20,24)(H,22,23,25)
InChIKeyYHMRIQWHLNEKEB-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.11
Rot. Bonds9

About 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide (PubChem CID 131939568) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
PubChem CID131939568
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCCNC(=O)CCc2c(C)nc(=O)[nH]c2C)cc1
InChIInChI=1S/C19H26N4O4S/c1-13-5-7-16(8-6-13)28(26,27)21-12-4-11-20-18(24)10-9-17-14(2)22-19(25)23-15(17)3/h5-8,21H,4,9-12H2,1-3H3,(H,20,24)(H,22,23,25)
InChIKeyYHMRIQWHLNEKEB-UHFFFAOYSA-N
XLogP1.11
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 14382253
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide
CID 131891594
N-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
CID 71914392
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 90647550
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide
CID 33338052
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 33426038
4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 119704161
3-[3-[(4-methylphenyl)sulfonylamino]propylcarbamoylamino]propanoic acid
CID 131908004
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide
CID 33426034
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide
CID 110717184
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide
CID 43500358
7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide
CID 119704157

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide (CID 131939568) is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide is Cc1ccc(S(=O)(=O)NCCCNC(=O)CCc2c(C)nc(=O)[nH]c2C)cc1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide?
The InChIKey is YHMRIQWHLNEKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-13-5-7-16(8-6-13)28(26,27)21-12-4-11-20-18(24)10-9-17-14(2)22-19(25)23-15(17)3/h5-8,21H,4,9-12H2,1-3H3,(H,20,24)(H,22,23,25).
What are the key properties of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide?
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide has a molecular weight of 406.51 g/mol, XLogP of 1.11, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide is sourced from PubChem (CID 131939568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).