N-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide

C18H22F2N4O3S — CID 133351813

IUPACN-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide
SMILESCC(Nc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H22F2N4O3S/c1-11(17(25)23-18(2,3)4)22-16-6-5-15(10-21-16)28(26,27)24-14-8-12(19)7-13(20)9-14/h5-11,24H,1-4H3,(H,21,22)(H,23,25)
InChIKeyHEYDFTINBBTZNR-UHFFFAOYSA-N
MW412.46 g/mol
LogP2.88
Rot. Bonds6

About N-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide

N-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide (PubChem CID 133351813) has the molecular formula C18H22F2N4O3S and a molecular weight of 412.46 g/mol. Its IUPAC name is N-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide
PubChem CID133351813
Molecular FormulaC18H22F2N4O3S
Molecular Weight412.46 g/mol
Exact Mass412.14
IUPAC NameN-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide
SMILESCC(Nc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H22F2N4O3S/c1-11(17(25)23-18(2,3)4)22-16-6-5-15(10-21-16)28(26,27)24-14-8-12(19)7-13(20)9-14/h5-11,24H,1-4H3,(H,21,22)(H,23,25)
InChIKeyHEYDFTINBBTZNR-UHFFFAOYSA-N
XLogP2.88
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide
CID 133358492
N-(3,5-difluorophenyl)-6-(1-thiophen-2-ylethylamino)pyridine-3-sulfonamide
CID 133372819
N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133351839
N-[2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]ethyl]acetamide
CID 133352522
N-tert-butyl-2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 112687594
2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide
CID 133351800
N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide
CID 133314068
N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide
CID 133355206
N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide
CID 166208303
N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62142755
6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133473678
N-[1-[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide
CID 133354657

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide (CID 133351813) is N-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide is CC(Nc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide?
The InChIKey is HEYDFTINBBTZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O3S/c1-11(17(25)23-18(2,3)4)22-16-6-5-15(10-21-16)28(26,27)24-14-8-12(19)7-13(20)9-14/h5-11,24H,1-4H3,(H,21,22)(H,23,25).
What are the key properties of N-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide?
N-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide has a molecular weight of 412.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide is sourced from PubChem (CID 133351813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).