N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide

C14H19ClF2N2O4S — CID 37499853

IUPACN-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C14H19ClF2N2O4S/c1-14(2,3)18-12(20)8-19(4)24(21,22)9-5-6-11(10(15)7-9)23-13(16)17/h5-7,13H,8H2,1-4H3,(H,18,20)
InChIKeyOVSHZMXLEQOTFJ-UHFFFAOYSA-N
MW384.83 g/mol
LogP2.48
Rot. Bonds6

About N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide

N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide (PubChem CID 37499853) has the molecular formula C14H19ClF2N2O4S and a molecular weight of 384.83 g/mol. Its IUPAC name is N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide
PubChem CID37499853
Molecular FormulaC14H19ClF2N2O4S
Molecular Weight384.83 g/mol
Exact Mass384.07
IUPAC NameN-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C14H19ClF2N2O4S/c1-14(2,3)18-12(20)8-19(4)24(21,22)9-5-6-11(10(15)7-9)23-13(16)17/h5-7,13H,8H2,1-4H3,(H,18,20)
InChIKeyOVSHZMXLEQOTFJ-UHFFFAOYSA-N
XLogP2.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
CID 43351470
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26835965
2-[(3-bromo-4-chlorophenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 106545297
N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 3608419
N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide
CID 115319094
3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 115776409
2-[(3-amino-4-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 61125788
N-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 9189126
N-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide
CID 37496456
N-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide
CID 9189054
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28547003
2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
CID 122101473

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide (CID 37499853) is N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide is CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide?
The InChIKey is OVSHZMXLEQOTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF2N2O4S/c1-14(2,3)18-12(20)8-19(4)24(21,22)9-5-6-11(10(15)7-9)23-13(16)17/h5-7,13H,8H2,1-4H3,(H,18,20).
What are the key properties of N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide?
N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide has a molecular weight of 384.83 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide is sourced from PubChem (CID 37499853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).