N-[4-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide

C22H16N2O2S — CID 15997480

IUPACN-[4-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H16N2O2S/c25-21(17-8-7-15-4-1-2-5-16(15)14-17)23-18-9-11-19(12-10-18)24-22(26)20-6-3-13-27-20/h1-14H,(H,23,25)(H,24,26)
InChIKeyVVUMSJPHQQSYDH-UHFFFAOYSA-N
MW372.45 g/mol
LogP5.41
Rot. Bonds4

About N-[4-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide

N-[4-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide (PubChem CID 15997480) has the molecular formula C22H16N2O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[4-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide
PubChem CID15997480
Molecular FormulaC22H16N2O2S
Molecular Weight372.45 g/mol
Exact Mass372.09
IUPAC NameN-[4-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H16N2O2S/c25-21(17-8-7-15-4-1-2-5-16(15)14-17)23-18-9-11-19(12-10-18)24-22(26)20-6-3-13-27-20/h1-14H,(H,23,25)(H,24,26)
InChIKeyVVUMSJPHQQSYDH-UHFFFAOYSA-N
XLogP5.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.45
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide (CID 15997480) is N-[4-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is VVUMSJPHQQSYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2S/c25-21(17-8-7-15-4-1-2-5-16(15)14-17)23-18-9-11-19(12-10-18)24-22(26)20-6-3-13-27-20/h1-14H,(H,23,25)(H,24,26).
What are the key properties of N-[4-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide?
N-[4-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 15997480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).