N-(1-methylcyclopropyl)acetamide;molecular hydrogen;N-propan-2-yl-4-(pyrimidin-2-ylamino)benzenesulfonamide

C19H33N5O3S — CID 171087154

IUPACN-(1-methylcyclopropyl)acetamide;molecular hydrogen;N-propan-2-yl-4-(pyrimidin-2-ylamino)benzenesulfonamide
SMILESCC(=O)NC1(C)CC1.CC(C)NS(=O)(=O)c1ccc(Nc2ncccn2)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C13H16N4O2S.C6H11NO.3H2/c1-10(2)17-20(18,19)12-6-4-11(5-7-12)16-13-14-8-3-9-15-13;1-5(8)7-6(2)3-4-6;;;/h3-10,17H,1-2H3,(H,14,15,16);3-4H2,1-2H3,(H,7,8);3*1H
InChIKeyRVCFHDOQYVCAGC-UHFFFAOYSA-N
MW411.57 g/mol
LogP3.32
Rot. Bonds6

About N-(1-methylcyclopropyl)acetamide;molecular hydrogen;N-propan-2-yl-4-(pyrimidin-2-ylamino)benzenesulfonamide

N-(1-methylcyclopropyl)acetamide;molecular hydrogen;N-propan-2-yl-4-(pyrimidin-2-ylamino)benzenesulfonamide (PubChem CID 171087154) has the molecular formula C19H33N5O3S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)acetamide;molecular hydrogen;N-propan-2-yl-4-(pyrimidin-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)acetamide;molecular hydrogen;N-propan-2-yl-4-(pyrimidin-2-ylamino)benzenesulfonamide
PubChem CID171087154
Molecular FormulaC19H33N5O3S
Molecular Weight411.57 g/mol
Exact Mass411.23
IUPAC NameN-(1-methylcyclopropyl)acetamide;molecular hydrogen;N-propan-2-yl-4-(pyrimidin-2-ylamino)benzenesulfonamide
SMILESCC(=O)NC1(C)CC1.CC(C)NS(=O)(=O)c1ccc(Nc2ncccn2)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C13H16N4O2S.C6H11NO.3H2/c1-10(2)17-20(18,19)12-6-4-11(5-7-12)16-13-14-8-3-9-15-13;1-5(8)7-6(2)3-4-6;;;/h3-10,17H,1-2H3,(H,14,15,16);3-4H2,1-2H3,(H,7,8);3*1H
InChIKeyRVCFHDOQYVCAGC-UHFFFAOYSA-N
XLogP3.32
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(pyrimidin-2-ylamino)phenyl]acetamide
CID 123760459
[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 3-(pyrimidin-2-ylamino)propanoate
CID 55701436
2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 3148025
N-cyclobutyl-4-(pyrimidin-2-ylamino)benzenesulfonamide
CID 142660407
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119685728
2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 18668315
(2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 9219372
1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 51246758
cis-(1R,2S)-2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6978147
3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide
CID 26715230
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119269225

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)acetamide;molecular hydrogen;N-propan-2-yl-4-(pyrimidin-2-ylamino)benzenesulfonamide?
The IUPAC name of N-(1-methylcyclopropyl)acetamide;molecular hydrogen;N-propan-2-yl-4-(pyrimidin-2-ylamino)benzenesulfonamide (CID 171087154) is N-(1-methylcyclopropyl)acetamide;molecular hydrogen;N-propan-2-yl-4-(pyrimidin-2-ylamino)benzenesulfonamide.
What is the SMILES notation for N-(1-methylcyclopropyl)acetamide;molecular hydrogen;N-propan-2-yl-4-(pyrimidin-2-ylamino)benzenesulfonamide?
The canonical SMILES for N-(1-methylcyclopropyl)acetamide;molecular hydrogen;N-propan-2-yl-4-(pyrimidin-2-ylamino)benzenesulfonamide is CC(=O)NC1(C)CC1.CC(C)NS(=O)(=O)c1ccc(Nc2ncccn2)cc1.[H][H].[H][H].[H][H].
What is the InChIKey of N-(1-methylcyclopropyl)acetamide;molecular hydrogen;N-propan-2-yl-4-(pyrimidin-2-ylamino)benzenesulfonamide?
The InChIKey is RVCFHDOQYVCAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S.C6H11NO.3H2/c1-10(2)17-20(18,19)12-6-4-11(5-7-12)16-13-14-8-3-9-15-13;1-5(8)7-6(2)3-4-6;;;/h3-10,17H,1-2H3,(H,14,15,16);3-4H2,1-2H3,(H,7,8);3*1H.
What are the key properties of N-(1-methylcyclopropyl)acetamide;molecular hydrogen;N-propan-2-yl-4-(pyrimidin-2-ylamino)benzenesulfonamide?
N-(1-methylcyclopropyl)acetamide;molecular hydrogen;N-propan-2-yl-4-(pyrimidin-2-ylamino)benzenesulfonamide has a molecular weight of 411.57 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)acetamide;molecular hydrogen;N-propan-2-yl-4-(pyrimidin-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 171087154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).