N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

C18H16F5N3O5S — CID 26560503

IUPACN-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H16F5N3O5S/c19-14-6-1-11(9-15(14)20)26-17(28)10-24-16(27)7-8-25-32(29,30)13-4-2-12(3-5-13)31-18(21,22)23/h1-6,9,25H,7-8,10H2,(H,24,27)(H,26,28)
InChIKeyJPSVXPBGASQDNW-UHFFFAOYSA-N
MW481.40 g/mol
LogP2.29
Rot. Bonds9

About N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (PubChem CID 26560503) has the molecular formula C18H16F5N3O5S and a molecular weight of 481.40 g/mol. Its IUPAC name is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
PubChem CID26560503
Molecular FormulaC18H16F5N3O5S
Molecular Weight481.40 g/mol
Exact Mass481.07
IUPAC NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H16F5N3O5S/c19-14-6-1-11(9-15(14)20)26-17(28)10-24-16(27)7-8-25-32(29,30)13-4-2-12(3-5-13)31-18(21,22)23/h1-6,9,25H,7-8,10H2,(H,24,27)(H,26,28)
InChIKeyJPSVXPBGASQDNW-UHFFFAOYSA-N
XLogP2.29
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.40
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26694786
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 3300002
methyl N-[4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]phenyl]carbamate
CID 55855713
2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide
CID 55641818
N-(3,4-difluorophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 113002373
[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 55367914
N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577873
N-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 24538040
N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 27648395
N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 78780570
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
CID 24543919
N-[(2-chlorophenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 26692097

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (CID 26560503) is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The InChIKey is JPSVXPBGASQDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F5N3O5S/c19-14-6-1-11(9-15(14)20)26-17(28)10-24-16(27)7-8-25-32(29,30)13-4-2-12(3-5-13)31-18(21,22)23/h1-6,9,25H,7-8,10H2,(H,24,27)(H,26,28).
What are the key properties of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide has a molecular weight of 481.40 g/mol, XLogP of 2.29, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 26560503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).