N-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide

C35H26N2O2S — CID 18908381

IUPACN-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1cccc(SC(C(=O)Nc2cccc3ccccc23)c2ccccc2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C35H26N2O2S/c38-34(28-21-20-24-10-4-5-14-27(24)22-28)36-29-16-9-17-30(23-29)40-33(26-12-2-1-3-13-26)35(39)37-32-19-8-15-25-11-6-7-18-31(25)32/h1-23,33H,(H,36,38)(H,37,39)
InChIKeyYMDZFVVEPOMLAX-UHFFFAOYSA-N
MW538.67 g/mol
LogP8.72
Rot. Bonds7

About N-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide

N-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide (PubChem CID 18908381) has the molecular formula C35H26N2O2S and a molecular weight of 538.67 g/mol. Its IUPAC name is N-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide
PubChem CID18908381
Molecular FormulaC35H26N2O2S
Molecular Weight538.67 g/mol
Exact Mass538.17
IUPAC NameN-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1cccc(SC(C(=O)Nc2cccc3ccccc23)c2ccccc2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C35H26N2O2S/c38-34(28-21-20-24-10-4-5-14-27(24)22-28)36-29-16-9-17-30(23-29)40-33(26-12-2-1-3-13-26)35(39)37-32-19-8-15-25-11-6-7-18-31(25)32/h1-23,33H,(H,36,38)(H,37,39)
InChIKeyYMDZFVVEPOMLAX-UHFFFAOYSA-N
XLogP8.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.67
LogP ≤ 58.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-nitrobenzamide
CID 18905213
N-[3-[2-(4-bromoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908350
N-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908363
N-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 18903197
4-methoxy-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18903762
3-methoxy-N-[3-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18903484
4-methyl-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18907218
3,4-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18902914
N-naphthalen-1-yl-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712560
N-[3-[2-(2-bromoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906909
4-fluoro-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18904338
4-fluoro-N-[3-[2-oxo-1-phenyl-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]benzamide
CID 18904315

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide (CID 18908381) is N-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide is O=C(Nc1cccc(SC(C(=O)Nc2cccc3ccccc23)c2ccccc2)c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide?
The InChIKey is YMDZFVVEPOMLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2O2S/c38-34(28-21-20-24-10-4-5-14-27(24)22-28)36-29-16-9-17-30(23-29)40-33(26-12-2-1-3-13-26)35(39)37-32-19-8-15-25-11-6-7-18-31(25)32/h1-23,33H,(H,36,38)(H,37,39).
What are the key properties of N-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide?
N-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide has a molecular weight of 538.67 g/mol, XLogP of 8.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 18908381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).