N-(10-methylsulfanylphenanthren-1-yl)benzamide

C22H17NOS — CID 162399879

IUPACN-(10-methylsulfanylphenanthren-1-yl)benzamide
SMILESCSc1cc2ccccc2c2cccc(NC(=O)c3ccccc3)c12
InChIInChI=1S/C22H17NOS/c1-25-20-14-16-10-5-6-11-17(16)18-12-7-13-19(21(18)20)23-22(24)15-8-3-2-4-9-15/h2-14H,1H3,(H,23,24)
InChIKeyDYFFWZNOHPHGOG-UHFFFAOYSA-N
MW343.45 g/mol
LogP5.97
Rot. Bonds3

About N-(10-methylsulfanylphenanthren-1-yl)benzamide

N-(10-methylsulfanylphenanthren-1-yl)benzamide (PubChem CID 162399879) has the molecular formula C22H17NOS and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(10-methylsulfanylphenanthren-1-yl)benzamide.

Molecular Properties

Compound NameN-(10-methylsulfanylphenanthren-1-yl)benzamide
PubChem CID162399879
Molecular FormulaC22H17NOS
Molecular Weight343.45 g/mol
Exact Mass343.10
IUPAC NameN-(10-methylsulfanylphenanthren-1-yl)benzamide
SMILESCSc1cc2ccccc2c2cccc(NC(=O)c3ccccc3)c12
InChIInChI=1S/C22H17NOS/c1-25-20-14-16-10-5-6-11-17(16)18-12-7-13-19(21(18)20)23-22(24)15-8-3-2-4-9-15/h2-14H,1H3,(H,23,24)
InChIKeyDYFFWZNOHPHGOG-UHFFFAOYSA-N
XLogP5.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.45
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(5,9-dibenzamidotriphenylen-1-yl)benzamide
CID 141408236
3-amino-N-(2-methylsulfanylphenyl)benzamide
CID 43702687
4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 2238716
N-(2-methylsulfanylphenyl)pyridine-4-carboxamide
CID 1244343
4-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 2091832
4-(methylamino)-N-(2-methylsulfanylphenyl)benzamide
CID 107643040
3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 103955489
N-(1-benzamidoanthracen-2-yl)benzamide
CID 87154988
3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 46411335
3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 81472688
N-[2-(methylamino)phenyl]benzamide
CID 101444547
N-(2-propan-2-ylphenyl)benzamide
CID 723391

Frequently Asked Questions

What is the IUPAC name of N-(10-methylsulfanylphenanthren-1-yl)benzamide?
The IUPAC name of N-(10-methylsulfanylphenanthren-1-yl)benzamide (CID 162399879) is N-(10-methylsulfanylphenanthren-1-yl)benzamide.
What is the SMILES notation for N-(10-methylsulfanylphenanthren-1-yl)benzamide?
The canonical SMILES for N-(10-methylsulfanylphenanthren-1-yl)benzamide is CSc1cc2ccccc2c2cccc(NC(=O)c3ccccc3)c12.
What is the InChIKey of N-(10-methylsulfanylphenanthren-1-yl)benzamide?
The InChIKey is DYFFWZNOHPHGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NOS/c1-25-20-14-16-10-5-6-11-17(16)18-12-7-13-19(21(18)20)23-22(24)15-8-3-2-4-9-15/h2-14H,1H3,(H,23,24).
What are the key properties of N-(10-methylsulfanylphenanthren-1-yl)benzamide?
N-(10-methylsulfanylphenanthren-1-yl)benzamide has a molecular weight of 343.45 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-methylsulfanylphenanthren-1-yl)benzamide is sourced from PubChem (CID 162399879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).