N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]acetamide

C20H28N4O4S — CID 100664366

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(CCCO)Cc2ccccn2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H28N4O4S/c1-16-8-9-17(13-19(16)29(27,28)23(2)3)22-20(26)15-24(11-6-12-25)14-18-7-4-5-10-21-18/h4-5,7-10,13,25H,6,11-12,14-15H2,1-3H3,(H,22,26)
InChIKeyIDGRMPPOWNORAT-UHFFFAOYSA-N
MW420.54 g/mol
LogP1.46
Rot. Bonds10

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]acetamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]acetamide (PubChem CID 100664366) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]acetamide
PubChem CID100664366
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(CCCO)Cc2ccccn2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H28N4O4S/c1-16-8-9-17(13-19(16)29(27,28)23(2)3)22-20(26)15-24(11-6-12-25)14-18-7-4-5-10-21-18/h4-5,7-10,13,25H,6,11-12,14-15H2,1-3H3,(H,22,26)
InChIKeyIDGRMPPOWNORAT-UHFFFAOYSA-N
XLogP1.46
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide
CID 79194533
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 55850115
5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide
CID 103601676
2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 8541301
N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide
CID 55680503
N-(3-chloro-4-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115669605
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
CID 61259448
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide
CID 8833006
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide
CID 25435774
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 55680304
7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide
CID 119675156
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]acetamide (CID 100664366) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]acetamide is Cc1ccc(NC(=O)CN(CCCO)Cc2ccccn2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]acetamide?
The InChIKey is IDGRMPPOWNORAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-16-8-9-17(13-19(16)29(27,28)23(2)3)22-20(26)15-24(11-6-12-25)14-18-7-4-5-10-21-18/h4-5,7-10,13,25H,6,11-12,14-15H2,1-3H3,(H,22,26).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]acetamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]acetamide has a molecular weight of 420.54 g/mol, XLogP of 1.46, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 100664366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).