3-acetamido-N-[(4-ethoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide

C25H26N2O3S — CID 4112067

IUPAC3-acetamido-N-[(4-ethoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide
SMILESCCOc1ccc(CNC(=O)c2ccc(Sc3ccc(C)cc3)c(NC(C)=O)c2)cc1
InChIInChI=1S/C25H26N2O3S/c1-4-30-21-10-7-19(8-11-21)16-26-25(29)20-9-14-24(23(15-20)27-18(3)28)31-22-12-5-17(2)6-13-22/h5-15H,4,16H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyHPSHCVWCJZGUBR-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.43
Rot. Bonds8

About 3-acetamido-N-[(4-ethoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide

3-acetamido-N-[(4-ethoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide (PubChem CID 4112067) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 3-acetamido-N-[(4-ethoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[(4-ethoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide
PubChem CID4112067
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name3-acetamido-N-[(4-ethoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide
SMILESCCOc1ccc(CNC(=O)c2ccc(Sc3ccc(C)cc3)c(NC(C)=O)c2)cc1
InChIInChI=1S/C25H26N2O3S/c1-4-30-21-10-7-19(8-11-21)16-26-25(29)20-9-14-24(23(15-20)27-18(3)28)31-22-12-5-17(2)6-13-22/h5-15H,4,16H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyHPSHCVWCJZGUBR-UHFFFAOYSA-N
XLogP5.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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RP-64477
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10-benzyl-N-(4-methoxybenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide
CID 16007752
5-ethyl-6,11-diketo-N-p-anisyl-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 16007814
N-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-2-(4-methoxyphenyl)acetamide
CID 16031471
N-[2-(4-aminophenyl)ethyl]-4-pentoxy-3-pentylsulfanylbenzamide
CID 53749463
(11S)-5-ethyl-N-[(4-methoxyphenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 57383403
N-(4-methoxyphenyl)-5-methyl-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 57383404
5-ethyl-N-[(3-methoxyphenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 57383409
N-[(4-methoxyphenyl)methyl]-6,11-dioxo-5-propylbenzo[b][1,4]benzothiazepine-3-carboxamide
CID 57383423
N-[(4-methoxyphenyl)methyl]-6,11-dioxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(4-ethoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide?
The IUPAC name of 3-acetamido-N-[(4-ethoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide (CID 4112067) is 3-acetamido-N-[(4-ethoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide.
What is the SMILES notation for 3-acetamido-N-[(4-ethoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide?
The canonical SMILES for 3-acetamido-N-[(4-ethoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide is CCOc1ccc(CNC(=O)c2ccc(Sc3ccc(C)cc3)c(NC(C)=O)c2)cc1.
What is the InChIKey of 3-acetamido-N-[(4-ethoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide?
The InChIKey is HPSHCVWCJZGUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-4-30-21-10-7-19(8-11-21)16-26-25(29)20-9-14-24(23(15-20)27-18(3)28)31-22-12-5-17(2)6-13-22/h5-15H,4,16H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 3-acetamido-N-[(4-ethoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide?
3-acetamido-N-[(4-ethoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide has a molecular weight of 434.56 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(4-ethoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide is sourced from PubChem (CID 4112067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).