N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide

C26H20Cl2N2O2S — CID 18908145

IUPACN-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
SMILESCC(Sc1cccc(NC(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C26H20Cl2N2O2S/c1-16(25(31)30-24-14-20(27)11-12-23(24)28)33-22-8-4-7-21(15-22)29-26(32)19-10-9-17-5-2-3-6-18(17)13-19/h2-16H,1H3,(H,29,32)(H,30,31)
InChIKeyIZBHVRGKXKIHSK-UHFFFAOYSA-N
MW495.43 g/mol
LogP7.52
Rot. Bonds6

About N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide

N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide (PubChem CID 18908145) has the molecular formula C26H20Cl2N2O2S and a molecular weight of 495.43 g/mol. Its IUPAC name is N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
PubChem CID18908145
Molecular FormulaC26H20Cl2N2O2S
Molecular Weight495.43 g/mol
Exact Mass494.06
IUPAC NameN-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
SMILESCC(Sc1cccc(NC(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C26H20Cl2N2O2S/c1-16(25(31)30-24-14-20(27)11-12-23(24)28)33-22-8-4-7-21(15-22)29-26(32)19-10-9-17-5-2-3-6-18(17)13-19/h2-16H,1H3,(H,29,32)(H,30,31)
InChIKeyIZBHVRGKXKIHSK-UHFFFAOYSA-N
XLogP7.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.43
LogP ≤ 57.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908142
N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
CID 18904113
N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908164
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]-2-methylbenzamide
CID 18906417
N-[3-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-methoxybenzamide
CID 18903534
3-chloro-N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 23097832
N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906129
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549
N-[3-[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
CID 18904112
N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 23095314
N-[3-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-methoxybenzamide
CID 18903753

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide (CID 18908145) is N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide is CC(Sc1cccc(NC(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide?
The InChIKey is IZBHVRGKXKIHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N2O2S/c1-16(25(31)30-24-14-20(27)11-12-23(24)28)33-22-8-4-7-21(15-22)29-26(32)19-10-9-17-5-2-3-6-18(17)13-19/h2-16H,1H3,(H,29,32)(H,30,31).
What are the key properties of N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide?
N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide has a molecular weight of 495.43 g/mol, XLogP of 7.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 18908145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).