3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide

C17H17F3N2O4S — CID 17192578

IUPAC3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3N2O4S/c1-26-14-5-7-15(8-6-14)27(24,25)21-10-9-16(23)22-13-4-2-3-12(11-13)17(18,19)20/h2-8,11,21H,9-10H2,1H3,(H,22,23)
InChIKeyRFBFCQLGVSHSDN-UHFFFAOYSA-N
MW402.39 g/mol
LogP3.02
Rot. Bonds7

About 3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide

3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 17192578) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID17192578
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC Name3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3N2O4S/c1-26-14-5-7-15(8-6-14)27(24,25)21-10-9-16(23)22-13-4-2-3-12(11-13)17(18,19)20/h2-8,11,21H,9-10H2,1H3,(H,22,23)
InChIKeyRFBFCQLGVSHSDN-UHFFFAOYSA-N
XLogP3.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192589
2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1488181
N-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 24538040
3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide
CID 17192407
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
3-[(4-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
CID 17192611
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 24644663
3-[(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 24637727
2-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112999443
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9412008
N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 26584175

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide (CID 17192578) is 3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide is COc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is RFBFCQLGVSHSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c1-26-14-5-7-15(8-6-14)27(24,25)21-10-9-16(23)22-13-4-2-3-12(11-13)17(18,19)20/h2-8,11,21H,9-10H2,1H3,(H,22,23).
What are the key properties of 3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide?
3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 402.39 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 17192578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).