N-cyclohexyl-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide

C18H27N3O4S — CID 53161877

IUPACN-cyclohexyl-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
SMILESCN(C(=O)Cn1cccc(S(=O)(=O)N2CCCC2)c1=O)C1CCCCC1
InChIInChI=1S/C18H27N3O4S/c1-19(15-8-3-2-4-9-15)17(22)14-20-11-7-10-16(18(20)23)26(24,25)21-12-5-6-13-21/h7,10-11,15H,2-6,8-9,12-14H2,1H3
InChIKeyPFCBTKYNQZHZCT-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.42
Rot. Bonds5

About N-cyclohexyl-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide

N-cyclohexyl-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide (PubChem CID 53161877) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
PubChem CID53161877
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-cyclohexyl-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
SMILESCN(C(=O)Cn1cccc(S(=O)(=O)N2CCCC2)c1=O)C1CCCCC1
InChIInChI=1S/C18H27N3O4S/c1-19(15-8-3-2-4-9-15)17(22)14-20-11-7-10-16(18(20)23)26(24,25)21-12-5-6-13-21/h7,10-11,15H,2-6,8-9,12-14H2,1H3
InChIKeyPFCBTKYNQZHZCT-UHFFFAOYSA-N
XLogP1.42
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide (CID 53161877) is N-cyclohexyl-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide is CN(C(=O)Cn1cccc(S(=O)(=O)N2CCCC2)c1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The InChIKey is PFCBTKYNQZHZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-19(15-8-3-2-4-9-15)17(22)14-20-11-7-10-16(18(20)23)26(24,25)21-12-5-6-13-21/h7,10-11,15H,2-6,8-9,12-14H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
N-cyclohexyl-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide has a molecular weight of 381.50 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide is sourced from PubChem (CID 53161877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).