2,2-dimethyl-N-[4-[[4-[(6-methyl-2-pyridinyl)carbamoylamino]phenyl]sulfonylamino]phenyl]propanamide

C24H27N5O4S — CID 142036807

IUPAC2,2-dimethyl-N-[4-[[4-[(6-methyl-2-pyridinyl)carbamoylamino]phenyl]sulfonylamino]phenyl]propanamide
SMILESCc1cccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)C)cc3)cc2)n1
InChIInChI=1S/C24H27N5O4S/c1-16-6-5-7-21(25-16)28-23(31)27-18-12-14-20(15-13-18)34(32,33)29-19-10-8-17(9-11-19)26-22(30)24(2,3)4/h5-15,29H,1-4H3,(H,26,30)(H2,25,27,28,31)
InChIKeyXCAKYIGXRWLTBY-UHFFFAOYSA-N
MW481.58 g/mol
LogP4.82
Rot. Bonds6

About 2,2-dimethyl-N-[4-[[4-[(6-methyl-2-pyridinyl)carbamoylamino]phenyl]sulfonylamino]phenyl]propanamide

2,2-dimethyl-N-[4-[[4-[(6-methyl-2-pyridinyl)carbamoylamino]phenyl]sulfonylamino]phenyl]propanamide (PubChem CID 142036807) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[[4-[(6-methyl-2-pyridinyl)carbamoylamino]phenyl]sulfonylamino]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[[4-[(6-methyl-2-pyridinyl)carbamoylamino]phenyl]sulfonylamino]phenyl]propanamide
PubChem CID142036807
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name2,2-dimethyl-N-[4-[[4-[(6-methyl-2-pyridinyl)carbamoylamino]phenyl]sulfonylamino]phenyl]propanamide
SMILESCc1cccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)C)cc3)cc2)n1
InChIInChI=1S/C24H27N5O4S/c1-16-6-5-7-21(25-16)28-23(31)27-18-12-14-20(15-13-18)34(32,33)29-19-10-8-17(9-11-19)26-22(30)24(2,3)4/h5-15,29H,1-4H3,(H,26,30)(H2,25,27,28,31)
InChIKeyXCAKYIGXRWLTBY-UHFFFAOYSA-N
XLogP4.82
TPSA129.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 54.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 4927444
N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 1026291
2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 503706
1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea
CID 6465275
1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea
CID 61339471
2,2-dimethyl-N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060679
1-[4-[(6-methyl-2-pyridinyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66611565
1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea
CID 4563892
1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 6468393
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 1040326
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea
CID 4830051
2,2-dimethyl-N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)sulfamoyl]phenyl]propanamide
CID 155969236

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[[4-[(6-methyl-2-pyridinyl)carbamoylamino]phenyl]sulfonylamino]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[[4-[(6-methyl-2-pyridinyl)carbamoylamino]phenyl]sulfonylamino]phenyl]propanamide (CID 142036807) is 2,2-dimethyl-N-[4-[[4-[(6-methyl-2-pyridinyl)carbamoylamino]phenyl]sulfonylamino]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[[4-[(6-methyl-2-pyridinyl)carbamoylamino]phenyl]sulfonylamino]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[[4-[(6-methyl-2-pyridinyl)carbamoylamino]phenyl]sulfonylamino]phenyl]propanamide is Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)C)cc3)cc2)n1.
What is the InChIKey of 2,2-dimethyl-N-[4-[[4-[(6-methyl-2-pyridinyl)carbamoylamino]phenyl]sulfonylamino]phenyl]propanamide?
The InChIKey is XCAKYIGXRWLTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-16-6-5-7-21(25-16)28-23(31)27-18-12-14-20(15-13-18)34(32,33)29-19-10-8-17(9-11-19)26-22(30)24(2,3)4/h5-15,29H,1-4H3,(H,26,30)(H2,25,27,28,31).
What are the key properties of 2,2-dimethyl-N-[4-[[4-[(6-methyl-2-pyridinyl)carbamoylamino]phenyl]sulfonylamino]phenyl]propanamide?
2,2-dimethyl-N-[4-[[4-[(6-methyl-2-pyridinyl)carbamoylamino]phenyl]sulfonylamino]phenyl]propanamide has a molecular weight of 481.58 g/mol, XLogP of 4.82, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[[4-[(6-methyl-2-pyridinyl)carbamoylamino]phenyl]sulfonylamino]phenyl]propanamide is sourced from PubChem (CID 142036807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).