(2S)-N-(4-methoxyphenyl)-N-methyl-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfamoylcarbamoylamino]propanamide

C25H25F3N4O6S — CID 122648302

IUPAC(2S)-N-(4-methoxyphenyl)-N-methyl-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfamoylcarbamoylamino]propanamide
SMILESCOc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C25H25F3N4O6S/c1-32(19-10-14-20(37-2)15-11-19)23(33)22(16-17-6-4-3-5-7-17)29-24(34)31-39(35,36)30-18-8-12-21(13-9-18)38-25(26,27)28/h3-15,22,30H,16H2,1-2H3,(H2,29,31,34)/t22-/m0/s1
InChIKeyRUQMECPJUADWMJ-QFIPXVFZSA-N
MW566.56 g/mol
LogP3.82
Rot. Bonds10

About (2S)-N-(4-methoxyphenyl)-N-methyl-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfamoylcarbamoylamino]propanamide

(2S)-N-(4-methoxyphenyl)-N-methyl-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfamoylcarbamoylamino]propanamide (PubChem CID 122648302) has the molecular formula C25H25F3N4O6S and a molecular weight of 566.56 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-N-methyl-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfamoylcarbamoylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-N-methyl-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfamoylcarbamoylamino]propanamide
PubChem CID122648302
Molecular FormulaC25H25F3N4O6S
Molecular Weight566.56 g/mol
Exact Mass566.14
IUPAC Name(2S)-N-(4-methoxyphenyl)-N-methyl-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfamoylcarbamoylamino]propanamide
SMILESCOc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C25H25F3N4O6S/c1-32(19-10-14-20(37-2)15-11-19)23(33)22(16-17-6-4-3-5-7-17)29-24(34)31-39(35,36)30-18-8-12-21(13-9-18)38-25(26,27)28/h3-15,22,30H,16H2,1-2H3,(H2,29,31,34)/t22-/m0/s1
InChIKeyRUQMECPJUADWMJ-QFIPXVFZSA-N
XLogP3.82
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.56
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(4-tert-butylphenyl)sulfamoylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 122648148
(2S)-N-(4-methoxyphenyl)-N-methyl-2-(naphthalen-2-ylsulfamoylcarbamoylamino)-3-phenylpropanamide
CID 122648220
(2S)-N-(4-methoxyphenyl)-N-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylcarbamoylamino]-3-phenylpropanamide
CID 122648519
N-(4-methoxyphenyl)-2-[[(4-methoxyphenyl)-methylsulfamoyl]carbamoylamino]-N-methyl-3-phenylpropanamide
CID 134378241
(2S)-N-(4-methoxyphenyl)-2-[[(2-methoxyphenyl)-methylsulfamoyl]carbamoylamino]-N-methyl-3-phenylpropanamide
CID 122648448
(2S)-N-(4-methoxyphenyl)-2-[[(3-methoxyphenyl)-methylsulfamoyl]carbamoylamino]-N-methyl-3-phenylpropanamide
CID 122648437
N'-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]propanediamide
CID 134344773
2-[(6-methoxy-2-methylindol-1-yl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 146594950
1-N,4-N-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzene-1,4-dicarboxamide
CID 122647174
2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylsulfonylcarbamoylamino)-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 146594894
3-(3,5-difluorophenyl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methylpropanamide
CID 118037987
cis-(1R,3S)-1-N,3-N-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1,3-dicarboxamide
CID 122647183

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-N-methyl-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfamoylcarbamoylamino]propanamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-N-methyl-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfamoylcarbamoylamino]propanamide (CID 122648302) is (2S)-N-(4-methoxyphenyl)-N-methyl-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfamoylcarbamoylamino]propanamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-N-methyl-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfamoylcarbamoylamino]propanamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-N-methyl-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfamoylcarbamoylamino]propanamide is COc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-N-methyl-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfamoylcarbamoylamino]propanamide?
The InChIKey is RUQMECPJUADWMJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H25F3N4O6S/c1-32(19-10-14-20(37-2)15-11-19)23(33)22(16-17-6-4-3-5-7-17)29-24(34)31-39(35,36)30-18-8-12-21(13-9-18)38-25(26,27)28/h3-15,22,30H,16H2,1-2H3,(H2,29,31,34)/t22-/m0/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-N-methyl-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfamoylcarbamoylamino]propanamide?
(2S)-N-(4-methoxyphenyl)-N-methyl-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfamoylcarbamoylamino]propanamide has a molecular weight of 566.56 g/mol, XLogP of 3.82, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxyphenyl)-N-methyl-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfamoylcarbamoylamino]propanamide is sourced from PubChem (CID 122648302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).