3-(4-cyanophenyl)-N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide

C24H29N3O4S — CID 142626961

IUPAC3-(4-cyanophenyl)-N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
SMILESCCOc1ccc(S(=O)(=O)NC(Cc2ccc(C#N)cc2)C(=O)N(C)C2CCCC2)cc1
InChIInChI=1S/C24H29N3O4S/c1-3-31-21-12-14-22(15-13-21)32(29,30)26-23(16-18-8-10-19(17-25)11-9-18)24(28)27(2)20-6-4-5-7-20/h8-15,20,23,26H,3-7,16H2,1-2H3
InChIKeyLYHHIFMUIZYNOW-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.25
Rot. Bonds9

About 3-(4-cyanophenyl)-N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide

3-(4-cyanophenyl)-N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 142626961) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
PubChem CID142626961
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name3-(4-cyanophenyl)-N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
SMILESCCOc1ccc(S(=O)(=O)NC(Cc2ccc(C#N)cc2)C(=O)N(C)C2CCCC2)cc1
InChIInChI=1S/C24H29N3O4S/c1-3-31-21-12-14-22(15-13-21)32(29,30)26-23(16-18-8-10-19(17-25)11-9-18)24(28)27(2)20-6-4-5-7-20/h8-15,20,23,26H,3-7,16H2,1-2H3
InChIKeyLYHHIFMUIZYNOW-UHFFFAOYSA-N
XLogP3.25
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]propanamide
CID 142626954
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
N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891419
(2R)-2-(benzenesulfonamido)-3-(4-cyanophenyl)propanoic acid
CID 1491108
2-(4-cyanophenoxy)-N-cycloheptyl-N-methylacetamide
CID 43409230
N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891489
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167333
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167334
(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 34247715
(4-cyanophenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3665647

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide (CID 142626961) is 3-(4-cyanophenyl)-N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide is CCOc1ccc(S(=O)(=O)NC(Cc2ccc(C#N)cc2)C(=O)N(C)C2CCCC2)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is LYHHIFMUIZYNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-3-31-21-12-14-22(15-13-21)32(29,30)26-23(16-18-8-10-19(17-25)11-9-18)24(28)27(2)20-6-4-5-7-20/h8-15,20,23,26H,3-7,16H2,1-2H3.
What are the key properties of 3-(4-cyanophenyl)-N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide?
3-(4-cyanophenyl)-N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 455.58 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 142626961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).