N-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide

C23H18N2O2S — CID 1000427

IUPACN-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
SMILESO=C(N[C@H](Nc1ccc2ccccc2c1)C(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C23H18N2O2S/c26-21(17-8-2-1-3-9-17)22(25-23(27)20-11-6-14-28-20)24-19-13-12-16-7-4-5-10-18(16)15-19/h1-15,22,24H,(H,25,27)/t22-/m0/s1
InChIKeyIBMISQLAQVJSNZ-QFIPXVFZSA-N
MW386.48 g/mol
LogP4.95
Rot. Bonds6

About N-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide

N-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide (PubChem CID 1000427) has the molecular formula C23H18N2O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
PubChem CID1000427
Molecular FormulaC23H18N2O2S
Molecular Weight386.48 g/mol
Exact Mass386.11
IUPAC NameN-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
SMILESO=C(N[C@H](Nc1ccc2ccccc2c1)C(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C23H18N2O2S/c26-21(17-8-2-1-3-9-17)22(25-23(27)20-11-6-14-28-20)24-19-13-12-16-7-4-5-10-18(16)15-19/h1-15,22,24H,(H,25,27)/t22-/m0/s1
InChIKeyIBMISQLAQVJSNZ-QFIPXVFZSA-N
XLogP4.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 985107
N-[1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 3109865
N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 7329890
N-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 1324863
N-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 4526208
N-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide
CID 7470378
N-[1-(3-chloro-4-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 2918908
N-[1-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 3109877
N-[(1R)-2-oxo-2-phenyl-1-piperidin-1-ium-1-ylethyl]thiophene-2-carboxamide
CID 7405169
N-[3-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1334806
N-(1-benzamido-2-oxo-2-phenylethyl)benzamide
CID 1101094
N-[(1S)-2-oxo-2-phenyl-1-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 805573

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide (CID 1000427) is N-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide is O=C(N[C@H](Nc1ccc2ccccc2c1)C(=O)c1ccccc1)c1cccs1.
What is the InChIKey of N-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide?
The InChIKey is IBMISQLAQVJSNZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H18N2O2S/c26-21(17-8-2-1-3-9-17)22(25-23(27)20-11-6-14-28-20)24-19-13-12-16-7-4-5-10-18(16)15-19/h1-15,22,24H,(H,25,27)/t22-/m0/s1.
What are the key properties of N-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide?
N-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 1000427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).