(2S)-N-(4-methoxyphenyl)-N-methyl-2-(naphthalen-2-ylsulfamoylcarbamoylamino)-3-phenylpropanamide

C28H28N4O5S — CID 122648220

IUPAC(2S)-N-(4-methoxyphenyl)-N-methyl-2-(naphthalen-2-ylsulfamoylcarbamoylamino)-3-phenylpropanamide
SMILESCOc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C28H28N4O5S/c1-32(24-14-16-25(37-2)17-15-24)27(33)26(18-20-8-4-3-5-9-20)29-28(34)31-38(35,36)30-23-13-12-21-10-6-7-11-22(21)19-23/h3-17,19,26,30H,18H2,1-2H3,(H2,29,31,34)/t26-/m0/s1
InChIKeyYGYCAIIJNXJEAK-SANMLTNESA-N
MW532.62 g/mol
LogP4.08
Rot. Bonds9

About (2S)-N-(4-methoxyphenyl)-N-methyl-2-(naphthalen-2-ylsulfamoylcarbamoylamino)-3-phenylpropanamide

(2S)-N-(4-methoxyphenyl)-N-methyl-2-(naphthalen-2-ylsulfamoylcarbamoylamino)-3-phenylpropanamide (PubChem CID 122648220) has the molecular formula C28H28N4O5S and a molecular weight of 532.62 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-N-methyl-2-(naphthalen-2-ylsulfamoylcarbamoylamino)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-N-methyl-2-(naphthalen-2-ylsulfamoylcarbamoylamino)-3-phenylpropanamide
PubChem CID122648220
Molecular FormulaC28H28N4O5S
Molecular Weight532.62 g/mol
Exact Mass532.18
IUPAC Name(2S)-N-(4-methoxyphenyl)-N-methyl-2-(naphthalen-2-ylsulfamoylcarbamoylamino)-3-phenylpropanamide
SMILESCOc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C28H28N4O5S/c1-32(24-14-16-25(37-2)17-15-24)27(33)26(18-20-8-4-3-5-9-20)29-28(34)31-38(35,36)30-23-13-12-21-10-6-7-11-22(21)19-23/h3-17,19,26,30H,18H2,1-2H3,(H2,29,31,34)/t26-/m0/s1
InChIKeyYGYCAIIJNXJEAK-SANMLTNESA-N
XLogP4.08
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.62
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfamoylcarbamoylamino]propanamide
CID 122648302
N-(4-methoxyphenyl)-2-[[(4-methoxyphenyl)-methylsulfamoyl]carbamoylamino]-N-methyl-3-phenylpropanamide
CID 134378241
(2S)-N-(4-methoxyphenyl)-N-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylcarbamoylamino]-3-phenylpropanamide
CID 122648519
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
(2S)-N-(4-methoxyphenyl)-2-[[(3-methoxyphenyl)-methylsulfamoyl]carbamoylamino]-N-methyl-3-phenylpropanamide
CID 122648437
2-[(6-methoxy-2-methylindol-1-yl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 146594950
(2S)-N-(4-methoxyphenyl)-2-[[(2-methoxyphenyl)-methylsulfamoyl]carbamoylamino]-N-methyl-3-phenylpropanamide
CID 122648448
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
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
(2S)-2-[3-[4-[3-[[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]piperazin-1-yl]propanoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 122647587

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-N-methyl-2-(naphthalen-2-ylsulfamoylcarbamoylamino)-3-phenylpropanamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-N-methyl-2-(naphthalen-2-ylsulfamoylcarbamoylamino)-3-phenylpropanamide (CID 122648220) is (2S)-N-(4-methoxyphenyl)-N-methyl-2-(naphthalen-2-ylsulfamoylcarbamoylamino)-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-N-methyl-2-(naphthalen-2-ylsulfamoylcarbamoylamino)-3-phenylpropanamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-N-methyl-2-(naphthalen-2-ylsulfamoylcarbamoylamino)-3-phenylpropanamide is COc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-N-methyl-2-(naphthalen-2-ylsulfamoylcarbamoylamino)-3-phenylpropanamide?
The InChIKey is YGYCAIIJNXJEAK-SANMLTNESA-N. The full InChI is InChI=1S/C28H28N4O5S/c1-32(24-14-16-25(37-2)17-15-24)27(33)26(18-20-8-4-3-5-9-20)29-28(34)31-38(35,36)30-23-13-12-21-10-6-7-11-22(21)19-23/h3-17,19,26,30H,18H2,1-2H3,(H2,29,31,34)/t26-/m0/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-N-methyl-2-(naphthalen-2-ylsulfamoylcarbamoylamino)-3-phenylpropanamide?
(2S)-N-(4-methoxyphenyl)-N-methyl-2-(naphthalen-2-ylsulfamoylcarbamoylamino)-3-phenylpropanamide has a molecular weight of 532.62 g/mol, XLogP of 4.08, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxyphenyl)-N-methyl-2-(naphthalen-2-ylsulfamoylcarbamoylamino)-3-phenylpropanamide is sourced from PubChem (CID 122648220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).