(2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]propanamide

C26H33N3O3S — CID 142626954

IUPAC(2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]propanamide
SMILESCC(C)Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N(C)C2CCCC2)cc1
InChIInChI=1S/C26H33N3O3S/c1-19(2)16-20-12-14-24(15-13-20)33(31,32)28-25(17-21-8-10-22(18-27)11-9-21)26(30)29(3)23-6-4-5-7-23/h8-15,19,23,25,28H,4-7,16-17H2,1-3H3/t25-/m0/s1
InChIKeyFNTYEIVZLIAONT-VWLOTQADSA-N
MW467.64 g/mol
LogP4.05
Rot. Bonds9

About (2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]propanamide

(2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]propanamide (PubChem CID 142626954) has the molecular formula C26H33N3O3S and a molecular weight of 467.64 g/mol. Its IUPAC name is (2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]propanamide
PubChem CID142626954
Molecular FormulaC26H33N3O3S
Molecular Weight467.64 g/mol
Exact Mass467.22
IUPAC Name(2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]propanamide
SMILESCC(C)Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N(C)C2CCCC2)cc1
InChIInChI=1S/C26H33N3O3S/c1-19(2)16-20-12-14-24(15-13-20)33(31,32)28-25(17-21-8-10-22(18-27)11-9-21)26(30)29(3)23-6-4-5-7-23/h8-15,19,23,25,28H,4-7,16-17H2,1-3H3/t25-/m0/s1
InChIKeyFNTYEIVZLIAONT-VWLOTQADSA-N
XLogP4.05
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyanophenyl)-N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 142626961
3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)propanamide
CID 19608647
(2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-ethyl-2-(naphthalen-2-ylsulfonylamino)propanamide
CID 54212480
(2R)-2-(benzenesulfonamido)-3-(4-cyanophenyl)propanoic acid
CID 1491108
N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 112820136
(2S)-3-[4-(aminomethyl)phenyl]-N-cyclopentyl-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-methylpropanamide
CID 10006490
2-[[(2S)-3-(4-cyanophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]acetic acid
CID 71429394
2-(benzenesulfonamido)-N-cyclohexyl-N-methyl-4-methylsulfanylbutanamide
CID 112760371
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
N-[(1R)-1-cyanoethyl]-4-(2-methylpropyl)benzenesulfonamide
CID 97243583
(2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid
CID 54073929
(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide
CID 9357237

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of (2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]propanamide (CID 142626954) is (2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for (2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for (2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]propanamide is CC(C)Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N(C)C2CCCC2)cc1.
What is the InChIKey of (2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]propanamide?
The InChIKey is FNTYEIVZLIAONT-VWLOTQADSA-N. The full InChI is InChI=1S/C26H33N3O3S/c1-19(2)16-20-12-14-24(15-13-20)33(31,32)28-25(17-21-8-10-22(18-27)11-9-21)26(30)29(3)23-6-4-5-7-23/h8-15,19,23,25,28H,4-7,16-17H2,1-3H3/t25-/m0/s1.
What are the key properties of (2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]propanamide?
(2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]propanamide has a molecular weight of 467.64 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 142626954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).