N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide

C27H24N2O2S — CID 18908221

IUPACN-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
SMILESCc1ccc(NC(=O)CSc2cccc(NC(=O)c3ccc4ccccc4c3)c2)c(C)c1
InChIInChI=1S/C27H24N2O2S/c1-18-10-13-25(19(2)14-18)29-26(30)17-32-24-9-5-8-23(16-24)28-27(31)22-12-11-20-6-3-4-7-21(20)15-22/h3-16H,17H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyDCVLMEQKOOYLSI-UHFFFAOYSA-N
MW440.57 g/mol
LogP6.44
Rot. Bonds6

About N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide

N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide (PubChem CID 18908221) has the molecular formula C27H24N2O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
PubChem CID18908221
Molecular FormulaC27H24N2O2S
Molecular Weight440.57 g/mol
Exact Mass440.16
IUPAC NameN-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
SMILESCc1ccc(NC(=O)CSc2cccc(NC(=O)c3ccc4ccccc4c3)c2)c(C)c1
InChIInChI=1S/C27H24N2O2S/c1-18-10-13-25(19(2)14-18)29-26(30)17-32-24-9-5-8-23(16-24)28-27(31)22-12-11-20-6-3-4-7-21(20)15-22/h3-16H,17H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyDCVLMEQKOOYLSI-UHFFFAOYSA-N
XLogP6.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908205
3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18906786
N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908238
N-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908206
methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetate
CID 19318440
N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908218
N-[3-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902750
4-methyl-3-[[2-[3-[(3-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid
CID 18906828
N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906768
2-(4-chlorophenyl)-N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 18902461
N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299278
N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040719

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide (CID 18908221) is N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide is Cc1ccc(NC(=O)CSc2cccc(NC(=O)c3ccc4ccccc4c3)c2)c(C)c1.
What is the InChIKey of N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide?
The InChIKey is DCVLMEQKOOYLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2S/c1-18-10-13-25(19(2)14-18)29-26(30)17-32-24-9-5-8-23(16-24)28-27(31)22-12-11-20-6-3-4-7-21(20)15-22/h3-16H,17H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide?
N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 6.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 18908221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).