N-[4-(2-methylpropylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide

C19H26N4O3S2 — CID 46304710

IUPACN-[4-(2-methylpropylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
SMILESCCC(Sc1cc(C)ncn1)C(=O)Nc1ccc(S(=O)(=O)NCC(C)C)cc1
InChIInChI=1S/C19H26N4O3S2/c1-5-17(27-18-10-14(4)20-12-21-18)19(24)23-15-6-8-16(9-7-15)28(25,26)22-11-13(2)3/h6-10,12-13,17,22H,5,11H2,1-4H3,(H,23,24)
InChIKeyAACKSXRNWGIYBM-UHFFFAOYSA-N
MW422.58 g/mol
LogP3.23
Rot. Bonds9

About N-[4-(2-methylpropylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide

N-[4-(2-methylpropylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide (PubChem CID 46304710) has the molecular formula C19H26N4O3S2 and a molecular weight of 422.58 g/mol. Its IUPAC name is N-[4-(2-methylpropylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-[4-(2-methylpropylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
PubChem CID46304710
Molecular FormulaC19H26N4O3S2
Molecular Weight422.58 g/mol
Exact Mass422.14
IUPAC NameN-[4-(2-methylpropylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
SMILESCCC(Sc1cc(C)ncn1)C(=O)Nc1ccc(S(=O)(=O)NCC(C)C)cc1
InChIInChI=1S/C19H26N4O3S2/c1-5-17(27-18-10-14(4)20-12-21-18)19(24)23-15-6-8-16(9-7-15)28(25,26)22-11-13(2)3/h6-10,12-13,17,22H,5,11H2,1-4H3,(H,23,24)
InChIKeyAACKSXRNWGIYBM-UHFFFAOYSA-N
XLogP3.23
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(cyclohexylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304715
N-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304700
2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide
CID 46300894
N-(3,5-dichlorophenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304688
N-[4-(2-phenylethylsulfamoyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide
CID 46304930
2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide
CID 46304677
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide
CID 25043701
2-methyl-N-[4-[(6-methylpyrimidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 122263675
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304722
(2R)-N-(4-hydroxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 42345492
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304773
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304723

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide?
The IUPAC name of N-[4-(2-methylpropylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide (CID 46304710) is N-[4-(2-methylpropylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide.
What is the SMILES notation for N-[4-(2-methylpropylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide?
The canonical SMILES for N-[4-(2-methylpropylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide is CCC(Sc1cc(C)ncn1)C(=O)Nc1ccc(S(=O)(=O)NCC(C)C)cc1.
What is the InChIKey of N-[4-(2-methylpropylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide?
The InChIKey is AACKSXRNWGIYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S2/c1-5-17(27-18-10-14(4)20-12-21-18)19(24)23-15-6-8-16(9-7-15)28(25,26)22-11-13(2)3/h6-10,12-13,17,22H,5,11H2,1-4H3,(H,23,24).
What are the key properties of N-[4-(2-methylpropylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide?
N-[4-(2-methylpropylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide has a molecular weight of 422.58 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide is sourced from PubChem (CID 46304710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).