N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide

C22H16N2O2S — CID 1273133

IUPACN-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccc3ccccc23)c1)c1cccs1
InChIInChI=1S/C22H16N2O2S/c25-21(19-11-3-7-15-6-1-2-10-18(15)19)23-16-8-4-9-17(14-16)24-22(26)20-12-5-13-27-20/h1-14H,(H,23,25)(H,24,26)
InChIKeyQTIYMJPTDTZGAX-UHFFFAOYSA-N
MW372.45 g/mol
LogP5.41
Rot. Bonds4

About N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide

N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide (PubChem CID 1273133) has the molecular formula C22H16N2O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide
PubChem CID1273133
Molecular FormulaC22H16N2O2S
Molecular Weight372.45 g/mol
Exact Mass372.09
IUPAC NameN-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccc3ccccc23)c1)c1cccs1
InChIInChI=1S/C22H16N2O2S/c25-21(19-11-3-7-15-6-1-2-10-18(15)19)23-16-8-4-9-17(14-16)24-22(26)20-12-5-13-27-20/h1-14H,(H,23,25)(H,24,26)
InChIKeyQTIYMJPTDTZGAX-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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Related Compounds

N-[3-[(2-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 31516964
N-[3-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1334806
N-[3-(naphthalene-1-carbonylamino)phenyl]pyridine-4-carboxamide
CID 55610557
N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1232080
N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 2280085
N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518611
N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 7268815
N-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 4569821
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24671974
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658002
N-(4-iodophenyl)naphthalene-1-carboxamide
CID 1019200
N-(3-fluorophenyl)-2-(thiophene-2-carbonyl)benzamide
CID 36678143

Frequently Asked Questions

What is the IUPAC name of N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide (CID 1273133) is N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(NC(=O)c2cccc3ccccc23)c1)c1cccs1.
What is the InChIKey of N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is QTIYMJPTDTZGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2S/c25-21(19-11-3-7-15-6-1-2-10-18(15)19)23-16-8-4-9-17(14-16)24-22(26)20-12-5-13-27-20/h1-14H,(H,23,25)(H,24,26).
What are the key properties of N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide?
N-[3-(naphthalene-1-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-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1273133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).