N-naphthalen-2-yl-4-(3-oxobutylsulfonyl)butanamide

C18H21NO4S — CID 68937845

IUPACN-naphthalen-2-yl-4-(3-oxobutylsulfonyl)butanamide
SMILESCC(=O)CCS(=O)(=O)CCCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H21NO4S/c1-14(20)10-12-24(22,23)11-4-7-18(21)19-17-9-8-15-5-2-3-6-16(15)13-17/h2-3,5-6,8-9,13H,4,7,10-12H2,1H3,(H,19,21)
InChIKeySBISTHDMNXRZFM-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.95
Rot. Bonds8

About N-naphthalen-2-yl-4-(3-oxobutylsulfonyl)butanamide

N-naphthalen-2-yl-4-(3-oxobutylsulfonyl)butanamide (PubChem CID 68937845) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-naphthalen-2-yl-4-(3-oxobutylsulfonyl)butanamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-4-(3-oxobutylsulfonyl)butanamide
PubChem CID68937845
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-naphthalen-2-yl-4-(3-oxobutylsulfonyl)butanamide
SMILESCC(=O)CCS(=O)(=O)CCCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H21NO4S/c1-14(20)10-12-24(22,23)11-4-7-18(21)19-17-9-8-15-5-2-3-6-16(15)13-17/h2-3,5-6,8-9,13H,4,7,10-12H2,1H3,(H,19,21)
InChIKeySBISTHDMNXRZFM-UHFFFAOYSA-N
XLogP2.95
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-4-(3-oxobutylsulfonyl)butanamide?
The IUPAC name of N-naphthalen-2-yl-4-(3-oxobutylsulfonyl)butanamide (CID 68937845) is N-naphthalen-2-yl-4-(3-oxobutylsulfonyl)butanamide.
What is the SMILES notation for N-naphthalen-2-yl-4-(3-oxobutylsulfonyl)butanamide?
The canonical SMILES for N-naphthalen-2-yl-4-(3-oxobutylsulfonyl)butanamide is CC(=O)CCS(=O)(=O)CCCC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-yl-4-(3-oxobutylsulfonyl)butanamide?
The InChIKey is SBISTHDMNXRZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-14(20)10-12-24(22,23)11-4-7-18(21)19-17-9-8-15-5-2-3-6-16(15)13-17/h2-3,5-6,8-9,13H,4,7,10-12H2,1H3,(H,19,21).
What are the key properties of N-naphthalen-2-yl-4-(3-oxobutylsulfonyl)butanamide?
N-naphthalen-2-yl-4-(3-oxobutylsulfonyl)butanamide has a molecular weight of 347.44 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-4-(3-oxobutylsulfonyl)butanamide is sourced from PubChem (CID 68937845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).