N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide

C20H28N4O3S2 — CID 42886823

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)nc(C(C)C)n1
InChIInChI=1S/C20H28N4O3S2/c1-12(2)19-21-14(4)10-18(23-19)28-15(5)20(25)22-17-11-16(9-8-13(17)3)29(26,27)24(6)7/h8-12,15H,1-7H3,(H,22,25)
InChIKeyBDCDYAMUFGOVJV-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.59
Rot. Bonds7

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide (PubChem CID 42886823) has the molecular formula C20H28N4O3S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
PubChem CID42886823
Molecular FormulaC20H28N4O3S2
Molecular Weight436.60 g/mol
Exact Mass436.16
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)nc(C(C)C)n1
InChIInChI=1S/C20H28N4O3S2/c1-12(2)19-21-14(4)10-18(23-19)28-15(5)20(25)22-17-11-16(9-8-13(17)3)29(26,27)24(6)7/h8-12,15H,1-7H3,(H,22,25)
InChIKeyBDCDYAMUFGOVJV-UHFFFAOYSA-N
XLogP3.59
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 18291422
(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
CID 60638627
(2S)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 25330741
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide
CID 61258908
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 16604498
N-tert-butyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
CID 17417079
(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 41216514
2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide
CID 46367328
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide
CID 75981195
(2R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 25390631
(2S)-2-(azepan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 9391020

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide (CID 42886823) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide is Cc1cc(SC(C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)nc(C(C)C)n1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide?
The InChIKey is BDCDYAMUFGOVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S2/c1-12(2)19-21-14(4)10-18(23-19)28-15(5)20(25)22-17-11-16(9-8-13(17)3)29(26,27)24(6)7/h8-12,15H,1-7H3,(H,22,25).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide has a molecular weight of 436.60 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 42886823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).