N-cyclopentyl-2-(2,5-dimethyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide

C26H33N3O4S — CID 647362

IUPACN-cyclopentyl-2-(2,5-dimethyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide
SMILESCc1ccc(NC(=O)CS(=O)CC(=O)N(CC(=O)NC2CCCC2)c2cc(C)ccc2C)cc1
InChIInChI=1S/C26H33N3O4S/c1-18-9-12-22(13-10-18)28-25(31)16-34(33)17-26(32)29(23-14-19(2)8-11-20(23)3)15-24(30)27-21-6-4-5-7-21/h8-14,21H,4-7,15-17H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyYBPUHDGZAPIMBB-UHFFFAOYSA-N
MW483.63 g/mol
LogP3.39
Rot. Bonds9

About N-cyclopentyl-2-(2,5-dimethyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide

N-cyclopentyl-2-(2,5-dimethyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide (PubChem CID 647362) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,5-dimethyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,5-dimethyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide
PubChem CID647362
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-cyclopentyl-2-(2,5-dimethyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide
SMILESCc1ccc(NC(=O)CS(=O)CC(=O)N(CC(=O)NC2CCCC2)c2cc(C)ccc2C)cc1
InChIInChI=1S/C26H33N3O4S/c1-18-9-12-22(13-10-18)28-25(31)16-34(33)17-26(32)29(23-14-19(2)8-11-20(23)3)15-24(30)27-21-6-4-5-7-21/h8-14,21H,4-7,15-17H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyYBPUHDGZAPIMBB-UHFFFAOYSA-N
XLogP3.39
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,5-dimethyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide?
The IUPAC name of N-cyclopentyl-2-(2,5-dimethyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide (CID 647362) is N-cyclopentyl-2-(2,5-dimethyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2,5-dimethyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2,5-dimethyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide is Cc1ccc(NC(=O)CS(=O)CC(=O)N(CC(=O)NC2CCCC2)c2cc(C)ccc2C)cc1.
What is the InChIKey of N-cyclopentyl-2-(2,5-dimethyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide?
The InChIKey is YBPUHDGZAPIMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-18-9-12-22(13-10-18)28-25(31)16-34(33)17-26(32)29(23-14-19(2)8-11-20(23)3)15-24(30)27-21-6-4-5-7-21/h8-14,21H,4-7,15-17H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N-cyclopentyl-2-(2,5-dimethyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide?
N-cyclopentyl-2-(2,5-dimethyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide has a molecular weight of 483.63 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,5-dimethyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide is sourced from PubChem (CID 647362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).