N-[2-(1-sulfanylethyl)phenyl]naphthalene-1-carboxamide

C19H17NOS — CID 10686182

IUPACN-[2-(1-sulfanylethyl)phenyl]naphthalene-1-carboxamide
SMILESCC(S)c1ccccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C19H17NOS/c1-13(22)15-9-4-5-12-18(15)20-19(21)17-11-6-8-14-7-2-3-10-16(14)17/h2-13,22H,1H3,(H,20,21)
InChIKeyKTEZORVCRUQEGV-UHFFFAOYSA-N
MW307.42 g/mol
LogP5.08
Rot. Bonds3

About N-[2-(1-sulfanylethyl)phenyl]naphthalene-1-carboxamide

N-[2-(1-sulfanylethyl)phenyl]naphthalene-1-carboxamide (PubChem CID 10686182) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[2-(1-sulfanylethyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-sulfanylethyl)phenyl]naphthalene-1-carboxamide
PubChem CID10686182
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC NameN-[2-(1-sulfanylethyl)phenyl]naphthalene-1-carboxamide
SMILESCC(S)c1ccccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C19H17NOS/c1-13(22)15-9-4-5-12-18(15)20-19(21)17-11-6-8-14-7-2-3-10-16(14)17/h2-13,22H,1H3,(H,20,21)
InChIKeyKTEZORVCRUQEGV-UHFFFAOYSA-N
XLogP5.08
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.42
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-iodophenyl)naphthalene-1-carboxamide
CID 11660752
N-[3-hydroxy-2-(2-methylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 143144429
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 1278699
2-methoxy-3-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 17101838
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 50882541
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558
N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 1278696
N-(2-hydroxypropyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide
CID 11595469
2-(naphthalen-1-ylcarbamoyl)benzoic acid
CID 67617466
N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide
CID 103819240
N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide
CID 1370762

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-sulfanylethyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(1-sulfanylethyl)phenyl]naphthalene-1-carboxamide (CID 10686182) is N-[2-(1-sulfanylethyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(1-sulfanylethyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(1-sulfanylethyl)phenyl]naphthalene-1-carboxamide is CC(S)c1ccccc1NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-(1-sulfanylethyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is KTEZORVCRUQEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS/c1-13(22)15-9-4-5-12-18(15)20-19(21)17-11-6-8-14-7-2-3-10-16(14)17/h2-13,22H,1H3,(H,20,21).
What are the key properties of N-[2-(1-sulfanylethyl)phenyl]naphthalene-1-carboxamide?
N-[2-(1-sulfanylethyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 5.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-sulfanylethyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 10686182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).