N-butyl-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzamide

C20H24N2O3S — CID 28578361

IUPACN-butyl-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)CSc1ccc(OC)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-4-13-21-20(24)17-7-5-6-8-18(17)22-19(23)14-26-16-11-9-15(25-2)10-12-16/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeySQDJEKHLDPHAOM-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.96
Rot. Bonds9

About N-butyl-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzamide

N-butyl-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzamide (PubChem CID 28578361) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-butyl-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzamide
PubChem CID28578361
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-butyl-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)CSc1ccc(OC)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-4-13-21-20(24)17-7-5-6-8-18(17)22-19(23)14-26-16-11-9-15(25-2)10-12-16/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeySQDJEKHLDPHAOM-UHFFFAOYSA-N
XLogP3.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17149354
methyl 3-[2-(butylcarbamoyl)anilino]-3-oxopropanoate
CID 28638069
2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide
CID 86981464
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
N-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
CID 17226272
4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid
CID 17149330
N-(2-aminoethyl)-2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]benzamide;hydrochloride
CID 120603877
2-[[(2S)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]-N-(3-methoxypropyl)benzamide
CID 94018594
N-butyl-2-[[2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzamide
CID 21372544
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide
CID 8886336
N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide
CID 21367326
2-(4-methoxyphenyl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
CID 39498329

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N-butyl-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzamide (CID 28578361) is N-butyl-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-butyl-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-butyl-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzamide is CCCCNC(=O)c1ccccc1NC(=O)CSc1ccc(OC)cc1.
What is the InChIKey of N-butyl-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzamide?
The InChIKey is SQDJEKHLDPHAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-4-13-21-20(24)17-7-5-6-8-18(17)22-19(23)14-26-16-11-9-15(25-2)10-12-16/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-butyl-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzamide?
N-butyl-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzamide has a molecular weight of 372.49 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 28578361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).