N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide

C19H25N3O3S — CID 113055244

IUPACN-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C(C)C)cc1)Cc1ccccn1
InChIInChI=1S/C19H25N3O3S/c1-15(2)17-7-9-19(10-8-17)26(24,25)21-12-13-22(16(3)23)14-18-6-4-5-11-20-18/h4-11,15,21H,12-14H2,1-3H3
InChIKeyWVFUJFQQDFDNOT-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.53
Rot. Bonds8

About N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide

N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 113055244) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID113055244
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C(C)C)cc1)Cc1ccccn1
InChIInChI=1S/C19H25N3O3S/c1-15(2)17-7-9-19(10-8-17)26(24,25)21-12-13-22(16(3)23)14-18-6-4-5-11-20-18/h4-11,15,21H,12-14H2,1-3H3
InChIKeyWVFUJFQQDFDNOT-UHFFFAOYSA-N
XLogP2.53
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide (CID 113055244) is N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc(C(C)C)cc1)Cc1ccccn1.
What is the InChIKey of N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is WVFUJFQQDFDNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-15(2)17-7-9-19(10-8-17)26(24,25)21-12-13-22(16(3)23)14-18-6-4-5-11-20-18/h4-11,15,21H,12-14H2,1-3H3.
What are the key properties of N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide?
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 375.49 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 113055244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).