3,3-dimethyl-N-[2-[(3-methylquinolin-8-yl)sulfonylamino]-2-oxoethyl]butanamide

C18H23N3O4S — CID 47569586

IUPAC3,3-dimethyl-N-[2-[(3-methylquinolin-8-yl)sulfonylamino]-2-oxoethyl]butanamide
SMILESCc1cnc2c(S(=O)(=O)NC(=O)CNC(=O)CC(C)(C)C)cccc2c1
InChIInChI=1S/C18H23N3O4S/c1-12-8-13-6-5-7-14(17(13)20-10-12)26(24,25)21-16(23)11-19-15(22)9-18(2,3)4/h5-8,10H,9,11H2,1-4H3,(H,19,22)(H,21,23)
InChIKeyPDGWOGDFCOJEML-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.90
Rot. Bonds5

About 3,3-dimethyl-N-[2-[(3-methylquinolin-8-yl)sulfonylamino]-2-oxoethyl]butanamide

3,3-dimethyl-N-[2-[(3-methylquinolin-8-yl)sulfonylamino]-2-oxoethyl]butanamide (PubChem CID 47569586) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-[(3-methylquinolin-8-yl)sulfonylamino]-2-oxoethyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-[(3-methylquinolin-8-yl)sulfonylamino]-2-oxoethyl]butanamide
PubChem CID47569586
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name3,3-dimethyl-N-[2-[(3-methylquinolin-8-yl)sulfonylamino]-2-oxoethyl]butanamide
SMILESCc1cnc2c(S(=O)(=O)NC(=O)CNC(=O)CC(C)(C)C)cccc2c1
InChIInChI=1S/C18H23N3O4S/c1-12-8-13-6-5-7-14(17(13)20-10-12)26(24,25)21-16(23)11-19-15(22)9-18(2,3)4/h5-8,10H,9,11H2,1-4H3,(H,19,22)(H,21,23)
InChIKeyPDGWOGDFCOJEML-UHFFFAOYSA-N
XLogP1.90
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-[(3-methylquinolin-8-yl)sulfonylamino]-2-oxoethyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[2-[(3-methylquinolin-8-yl)sulfonylamino]-2-oxoethyl]butanamide (CID 47569586) is 3,3-dimethyl-N-[2-[(3-methylquinolin-8-yl)sulfonylamino]-2-oxoethyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-[(3-methylquinolin-8-yl)sulfonylamino]-2-oxoethyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[2-[(3-methylquinolin-8-yl)sulfonylamino]-2-oxoethyl]butanamide is Cc1cnc2c(S(=O)(=O)NC(=O)CNC(=O)CC(C)(C)C)cccc2c1.
What is the InChIKey of 3,3-dimethyl-N-[2-[(3-methylquinolin-8-yl)sulfonylamino]-2-oxoethyl]butanamide?
The InChIKey is PDGWOGDFCOJEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-12-8-13-6-5-7-14(17(13)20-10-12)26(24,25)21-16(23)11-19-15(22)9-18(2,3)4/h5-8,10H,9,11H2,1-4H3,(H,19,22)(H,21,23).
What are the key properties of 3,3-dimethyl-N-[2-[(3-methylquinolin-8-yl)sulfonylamino]-2-oxoethyl]butanamide?
3,3-dimethyl-N-[2-[(3-methylquinolin-8-yl)sulfonylamino]-2-oxoethyl]butanamide has a molecular weight of 377.47 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-[(3-methylquinolin-8-yl)sulfonylamino]-2-oxoethyl]butanamide is sourced from PubChem (CID 47569586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).