3-chloro-N-naphthalen-2-ylphenanthro[9,10-b]thiophene-2-carboxamide

C27H16ClNOS — CID 10320895

IUPAC3-chloro-N-naphthalen-2-ylphenanthro[9,10-b]thiophene-2-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1sc2c3ccccc3c3ccccc3c2c1Cl
InChIInChI=1S/C27H16ClNOS/c28-24-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)25(23)31-26(24)27(30)29-18-14-13-16-7-1-2-8-17(16)15-18/h1-15H,(H,29,30)
InChIKeySRYHQLXXUKJLBL-UHFFFAOYSA-N
MW437.95 g/mol
LogP8.27
Rot. Bonds2

About 3-chloro-N-naphthalen-2-ylphenanthro[9,10-b]thiophene-2-carboxamide

3-chloro-N-naphthalen-2-ylphenanthro[9,10-b]thiophene-2-carboxamide (PubChem CID 10320895) has the molecular formula C27H16ClNOS and a molecular weight of 437.95 g/mol. Its IUPAC name is 3-chloro-N-naphthalen-2-ylphenanthro[9,10-b]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-naphthalen-2-ylphenanthro[9,10-b]thiophene-2-carboxamide
PubChem CID10320895
Molecular FormulaC27H16ClNOS
Molecular Weight437.95 g/mol
Exact Mass437.06
IUPAC Name3-chloro-N-naphthalen-2-ylphenanthro[9,10-b]thiophene-2-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1sc2c3ccccc3c3ccccc3c2c1Cl
InChIInChI=1S/C27H16ClNOS/c28-24-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)25(23)31-26(24)27(30)29-18-14-13-16-7-1-2-8-17(16)15-18/h1-15H,(H,29,30)
InChIKeySRYHQLXXUKJLBL-UHFFFAOYSA-N
XLogP8.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 58.27
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

3-chloro-4-methyl-N-phenanthren-3-yl-1-benzothiophene-2-carboxamide
CID 171987140
3-chloro-4-fluoro-N-phenanthren-3-yl-1-benzothiophene-2-carboxamide
CID 171987142
1-chloro-N-(4-phenoxyphenyl)benzo[e][1]benzothiole-2-carboxamide
CID 19164342
1-chloro-N-(4-sulfamoylphenyl)benzo[e][1]benzothiole-2-carboxamide
CID 19164356
2-amino-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide
CID 62794262
3-chloro-N-phenanthren-1-yl-1-benzothiophene-2-carboxamide
CID 10000300
3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 78796805
2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide
CID 5018859
3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide
CID 26719883
3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 3128607
3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033
N-(3-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 607008

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-naphthalen-2-ylphenanthro[9,10-b]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-naphthalen-2-ylphenanthro[9,10-b]thiophene-2-carboxamide (CID 10320895) is 3-chloro-N-naphthalen-2-ylphenanthro[9,10-b]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-naphthalen-2-ylphenanthro[9,10-b]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-naphthalen-2-ylphenanthro[9,10-b]thiophene-2-carboxamide is O=C(Nc1ccc2ccccc2c1)c1sc2c3ccccc3c3ccccc3c2c1Cl.
What is the InChIKey of 3-chloro-N-naphthalen-2-ylphenanthro[9,10-b]thiophene-2-carboxamide?
The InChIKey is SRYHQLXXUKJLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16ClNOS/c28-24-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)25(23)31-26(24)27(30)29-18-14-13-16-7-1-2-8-17(16)15-18/h1-15H,(H,29,30).
What are the key properties of 3-chloro-N-naphthalen-2-ylphenanthro[9,10-b]thiophene-2-carboxamide?
3-chloro-N-naphthalen-2-ylphenanthro[9,10-b]thiophene-2-carboxamide has a molecular weight of 437.95 g/mol, XLogP of 8.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-naphthalen-2-ylphenanthro[9,10-b]thiophene-2-carboxamide is sourced from PubChem (CID 10320895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).