2-methyl-N-[3-[[[5-(methylsulfamoyl)-2-pyridinyl]amino]methyl]phenyl]butanamide

C18H24N4O3S — CID 133297158

IUPAC2-methyl-N-[3-[[[5-(methylsulfamoyl)-2-pyridinyl]amino]methyl]phenyl]butanamide
SMILESCCC(C)C(=O)Nc1cccc(CNc2ccc(S(=O)(=O)NC)cn2)c1
InChIInChI=1S/C18H24N4O3S/c1-4-13(2)18(23)22-15-7-5-6-14(10-15)11-20-17-9-8-16(12-21-17)26(24,25)19-3/h5-10,12-13,19H,4,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyHFKSMGADGRIOOC-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.59
Rot. Bonds8

About 2-methyl-N-[3-[[[5-(methylsulfamoyl)-2-pyridinyl]amino]methyl]phenyl]butanamide

2-methyl-N-[3-[[[5-(methylsulfamoyl)-2-pyridinyl]amino]methyl]phenyl]butanamide (PubChem CID 133297158) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-methyl-N-[3-[[[5-(methylsulfamoyl)-2-pyridinyl]amino]methyl]phenyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[[[5-(methylsulfamoyl)-2-pyridinyl]amino]methyl]phenyl]butanamide
PubChem CID133297158
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name2-methyl-N-[3-[[[5-(methylsulfamoyl)-2-pyridinyl]amino]methyl]phenyl]butanamide
SMILESCCC(C)C(=O)Nc1cccc(CNc2ccc(S(=O)(=O)NC)cn2)c1
InChIInChI=1S/C18H24N4O3S/c1-4-13(2)18(23)22-15-7-5-6-14(10-15)11-20-17-9-8-16(12-21-17)26(24,25)19-3/h5-10,12-13,19H,4,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyHFKSMGADGRIOOC-UHFFFAOYSA-N
XLogP2.59
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-(naphthalen-2-ylmethylamino)pyridine-3-sulfonamide
CID 133299071
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
4-(methoxysulfamoyl)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
CID 55869026
6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133304263
N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 55680935
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119285748
6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133304167
N-[3-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]-2-methylbutanamide
CID 78897830
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide
CID 43062359
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
N-(3-ethylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196152
2-methyl-N-[3-[[[N'-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]carbamimidoyl]amino]methyl]phenyl]butanamide
CID 111613622

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[[[5-(methylsulfamoyl)-2-pyridinyl]amino]methyl]phenyl]butanamide?
The IUPAC name of 2-methyl-N-[3-[[[5-(methylsulfamoyl)-2-pyridinyl]amino]methyl]phenyl]butanamide (CID 133297158) is 2-methyl-N-[3-[[[5-(methylsulfamoyl)-2-pyridinyl]amino]methyl]phenyl]butanamide.
What is the SMILES notation for 2-methyl-N-[3-[[[5-(methylsulfamoyl)-2-pyridinyl]amino]methyl]phenyl]butanamide?
The canonical SMILES for 2-methyl-N-[3-[[[5-(methylsulfamoyl)-2-pyridinyl]amino]methyl]phenyl]butanamide is CCC(C)C(=O)Nc1cccc(CNc2ccc(S(=O)(=O)NC)cn2)c1.
What is the InChIKey of 2-methyl-N-[3-[[[5-(methylsulfamoyl)-2-pyridinyl]amino]methyl]phenyl]butanamide?
The InChIKey is HFKSMGADGRIOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-4-13(2)18(23)22-15-7-5-6-14(10-15)11-20-17-9-8-16(12-21-17)26(24,25)19-3/h5-10,12-13,19H,4,11H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-methyl-N-[3-[[[5-(methylsulfamoyl)-2-pyridinyl]amino]methyl]phenyl]butanamide?
2-methyl-N-[3-[[[5-(methylsulfamoyl)-2-pyridinyl]amino]methyl]phenyl]butanamide has a molecular weight of 376.48 g/mol, XLogP of 2.59, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[[[5-(methylsulfamoyl)-2-pyridinyl]amino]methyl]phenyl]butanamide is sourced from PubChem (CID 133297158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).