N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide

C30H24N2O2S — CID 18908164

IUPACN-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
SMILESCC(Sc1cccc(NC(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C30H24N2O2S/c1-20(29(33)31-27-16-15-22-8-3-5-10-24(22)18-27)35-28-12-6-11-26(19-28)32-30(34)25-14-13-21-7-2-4-9-23(21)17-25/h2-20H,1H3,(H,31,33)(H,32,34)
InChIKeyYJNFOGDACCLQPG-UHFFFAOYSA-N
MW476.60 g/mol
LogP7.36
Rot. Bonds6

About N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide

N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide (PubChem CID 18908164) has the molecular formula C30H24N2O2S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
PubChem CID18908164
Molecular FormulaC30H24N2O2S
Molecular Weight476.60 g/mol
Exact Mass476.16
IUPAC NameN-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
SMILESCC(Sc1cccc(NC(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C30H24N2O2S/c1-20(29(33)31-27-16-15-22-8-3-5-10-24(22)18-27)35-28-12-6-11-26(19-28)32-30(34)25-14-13-21-7-2-4-9-23(21)17-25/h2-20H,1H3,(H,31,33)(H,32,34)
InChIKeyYJNFOGDACCLQPG-UHFFFAOYSA-N
XLogP7.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.60
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908141
N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908145
2,6-dimethoxy-N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18907876
N-[3-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908142
N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908304
N-[3-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide
CID 18906978
4-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylanilino]-4-oxobutanoic acid
CID 18897016
N-[3-[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908179
N-[3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 18906732
3-methyl-N-[3-[1-(4-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18906716
4-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid
CID 18903290
N-[3-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]naphthalene-2-carboxamide
CID 19318602

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide (CID 18908164) is N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide is CC(Sc1cccc(NC(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide?
The InChIKey is YJNFOGDACCLQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O2S/c1-20(29(33)31-27-16-15-22-8-3-5-10-24(22)18-27)35-28-12-6-11-26(19-28)32-30(34)25-14-13-21-7-2-4-9-23(21)17-25/h2-20H,1H3,(H,31,33)(H,32,34).
What are the key properties of N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide?
N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 7.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 18908164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).