N-[3-(butylsulfamoyl)phenyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide

C18H24N4O4S — CID 9406601

IUPACN-[3-(butylsulfamoyl)phenyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)Cc2c(C)nc(=O)[nH]c2C)c1
InChIInChI=1S/C18H24N4O4S/c1-4-5-9-19-27(25,26)15-8-6-7-14(10-15)22-17(23)11-16-12(2)20-18(24)21-13(16)3/h6-8,10,19H,4-5,9,11H2,1-3H3,(H,22,23)(H,20,21,24)
InChIKeyMWLNIBBBIGZRFP-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.65
Rot. Bonds8

About N-[3-(butylsulfamoyl)phenyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide

N-[3-(butylsulfamoyl)phenyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 9406601) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[3-(butylsulfamoyl)phenyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[3-(butylsulfamoyl)phenyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID9406601
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-[3-(butylsulfamoyl)phenyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)Cc2c(C)nc(=O)[nH]c2C)c1
InChIInChI=1S/C18H24N4O4S/c1-4-5-9-19-27(25,26)15-8-6-7-14(10-15)22-17(23)11-16-12(2)20-18(24)21-13(16)3/h6-8,10,19H,4-5,9,11H2,1-3H3,(H,22,23)(H,20,21,24)
InChIKeyMWLNIBBBIGZRFP-UHFFFAOYSA-N
XLogP1.65
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.65
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-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,2-dimethylpropanamide
CID 24981306
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 40201108
3-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]but-2-enamide
CID 4147519
N-[3-(dimethylsulfamoyl)phenyl]-3-(phenylcarbamoylamino)propanamide
CID 9507254
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]hexanamide
CID 25163881
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]cyclobutanecarboxamide
CID 3351089
N-{4-[(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)sulfonyl]phenyl}acetamide hydrochloride
CID 5337652
(2S)-2-(carbamoylamino)-3-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]butanamide
CID 8083109
N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]hexanamide
CID 25163766
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methylpropanamide
CID 25614252
N-[3-(azepan-1-ylsulfonyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 31009852
2-(propylamino)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 3905508

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylsulfamoyl)phenyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[3-(butylsulfamoyl)phenyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide (CID 9406601) is N-[3-(butylsulfamoyl)phenyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[3-(butylsulfamoyl)phenyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[3-(butylsulfamoyl)phenyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide is CCCCNS(=O)(=O)c1cccc(NC(=O)Cc2c(C)nc(=O)[nH]c2C)c1.
What is the InChIKey of N-[3-(butylsulfamoyl)phenyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is MWLNIBBBIGZRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-4-5-9-19-27(25,26)15-8-6-7-14(10-15)22-17(23)11-16-12(2)20-18(24)21-13(16)3/h6-8,10,19H,4-5,9,11H2,1-3H3,(H,22,23)(H,20,21,24).
What are the key properties of N-[3-(butylsulfamoyl)phenyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide?
N-[3-(butylsulfamoyl)phenyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 392.48 g/mol, XLogP of 1.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylsulfamoyl)phenyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 9406601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).