4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide

C25H28N2O2S — CID 46655862

IUPAC4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide
SMILESCCCCc1ccc(C(NC(=O)c2ccc(CNC(C)=O)cc2)c2cccs2)cc1
InChIInChI=1S/C25H28N2O2S/c1-3-4-6-19-8-12-21(13-9-19)24(23-7-5-16-30-23)27-25(29)22-14-10-20(11-15-22)17-26-18(2)28/h5,7-16,24H,3-4,6,17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyMRIKXQMAJKTVAS-UHFFFAOYSA-N
MW420.58 g/mol
LogP5.25
Rot. Bonds9

About 4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide

4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide (PubChem CID 46655862) has the molecular formula C25H28N2O2S and a molecular weight of 420.58 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide
PubChem CID46655862
Molecular FormulaC25H28N2O2S
Molecular Weight420.58 g/mol
Exact Mass420.19
IUPAC Name4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide
SMILESCCCCc1ccc(C(NC(=O)c2ccc(CNC(C)=O)cc2)c2cccs2)cc1
InChIInChI=1S/C25H28N2O2S/c1-3-4-6-19-8-12-21(13-9-19)24(23-7-5-16-30-23)27-25(29)22-14-10-20(11-15-22)17-26-18(2)28/h5,7-16,24H,3-4,6,17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyMRIKXQMAJKTVAS-UHFFFAOYSA-N
XLogP5.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46564866
4-(2-amino-2-oxoethoxy)-N-[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]benzamide
CID 41411582
4-(2-amino-2-oxoethoxy)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]-3-chloro-5-methoxybenzamide
CID 24597433
N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 18275719
4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029454
3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]benzamide
CID 97098942
1-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-2,3-dihydroindole-5-carboxamide
CID 46548669
1-ethyl-2,3-dioxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-4H-quinoxaline-6-carboxamide
CID 24550451
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(propan-2-yloxymethyl)benzamide
CID 18226971
6-imidazol-1-yl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 24665671
2-[[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide
CID 8993493
2-[[(R)-(4-butylphenyl)-thiophen-2-ylmethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide
CID 8993496

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide (CID 46655862) is 4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide is CCCCc1ccc(C(NC(=O)c2ccc(CNC(C)=O)cc2)c2cccs2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide?
The InChIKey is MRIKXQMAJKTVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2S/c1-3-4-6-19-8-12-21(13-9-19)24(23-7-5-16-30-23)27-25(29)22-14-10-20(11-15-22)17-26-18(2)28/h5,7-16,24H,3-4,6,17H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide?
4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide has a molecular weight of 420.58 g/mol, XLogP of 5.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide is sourced from PubChem (CID 46655862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).