N-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide

C19H22F2N2O4S — CID 43890502

IUPACN-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NC(C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H22F2N2O4S/c1-11(2)13-5-8-17(27-4)18(9-13)28(25,26)23-12(3)19(24)22-16-7-6-14(20)10-15(16)21/h5-12,23H,1-4H3,(H,22,24)
InChIKeyLOHVKNXMDDNOAR-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.40
Rot. Bonds7

About N-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide

N-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide (PubChem CID 43890502) has the molecular formula C19H22F2N2O4S and a molecular weight of 412.46 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide
PubChem CID43890502
Molecular FormulaC19H22F2N2O4S
Molecular Weight412.46 g/mol
Exact Mass412.13
IUPAC NameN-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NC(C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H22F2N2O4S/c1-11(2)13-5-8-17(27-4)18(9-13)28(25,26)23-12(3)19(24)22-16-7-6-14(20)10-15(16)21/h5-12,23H,1-4H3,(H,22,24)
InChIKeyLOHVKNXMDDNOAR-UHFFFAOYSA-N
XLogP3.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide
CID 43890485
N-(2,6-difluorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890625
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 28549552
(2S)-N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 7924414
N-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890621
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 43890547
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43906630
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890558
1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
CID 146780735
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 43890648
N-(3-chloro-4-methylphenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890617
(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide
CID 9274019

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide (CID 43890502) is N-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide is COc1ccc(C(C)C)cc1S(=O)(=O)NC(C)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide?
The InChIKey is LOHVKNXMDDNOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O4S/c1-11(2)13-5-8-17(27-4)18(9-13)28(25,26)23-12(3)19(24)22-16-7-6-14(20)10-15(16)21/h5-12,23H,1-4H3,(H,22,24).
What are the key properties of N-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide?
N-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide has a molecular weight of 412.46 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 43890502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).